UCSF

ZINC44675914

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.07 5.55 -100.34 4 3 2 42 234.343 4
Hi High (pH 8-9.5) 1.07 4.17 -40.58 3 3 1 38 233.335 4
Hi High (pH 8-9.5) 1.07 2.8 -3.81 2 3 0 33 232.327 4
Mid Mid (pH 6-8) 1.07 4.18 -34.22 3 3 1 38 233.335 4

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