UCSF

ZINC39884078

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 No

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Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 6.3 -24.04 4 10 0 152 510.553 4
Mid Mid (pH 6-8) 1.44 4.24 -58.2 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.44 4.33 -54.95 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.44 4.41 -54.78 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.44 4.12 -70.46 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.44 4.21 -70.96 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.44 4.86 -56.42 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.44 4.94 -56.44 3 10 -1 156 509.545 5

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Analogs ( Draw Identity 99% 90% 80% 70% )