UCSF

ZINC44609417

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 0.83 4.48 -7.18 0 4 0 42 242.344 7
Mid Mid (pH 6-8) 0.83 6.85 -38.59 1 4 1 44 243.352 7

Activity (Go SEA)

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