UCSF

ZINC40918868

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 29 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
Mid Mid (pH 6-8) 0.04 0.46 -59.12 1 10 -1 144 439.495 3
Lo Low (pH 4.5-6) 0.04 0.29 -28.59 2 10 0 142 440.503 3

Activity (Go SEA)

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