UCSF

ZINC42459354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 No

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) 0.48 0.74 -35.26 4 5 1 72 204.294 7
Mid Mid (pH 6-8) 0.48 -1.15 -6.23 3 5 0 71 203.286 7

Activity (Go SEA)

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