UCSF

ZINC22177936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.98 4.53 -102.29 4 4 2 48 253.39 5
Mid Mid (pH 6-8) 0.98 2.16 -47.3 3 4 1 47 252.382 5

Activity (Go SEA)

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