UCSF

ZINC42420187

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) -2.29 3.21 -59.02 2 6 0 80 227.264 1
Mid Mid (pH 6-8) -2.29 1.92 -49.55 1 6 -1 76 226.256 1

Activity (Go SEA)

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