UCSF

ZINC39884074

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) 1.26 5.27 -26.75 4 10 0 152 510.553 4
Mid Mid (pH 6-8) 1.02 4.15 -55.43 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.02 3.74 -55.49 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.02 3.83 -55.35 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.02 4.01 -67.17 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.02 4.09 -67.77 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.02 3.8 -61.4 3 10 -1 156 509.545 5
Mid Mid (pH 6-8) 1.02 3.88 -61.49 3 10 -1 156 509.545 5

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