UCSF

ZINC42477664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 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) 0.80 -0.66 -65.5 6 6 1 117 312.415 5
Mid Mid (pH 6-8) 0.80 -0.89 -16.9 5 6 0 115 311.407 5

Activity (Go SEA)

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