UCSF

ZINC41731303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 15 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) 0.91 7.34 -32.5 2 3 0 57 211.305 8
Mid Mid (pH 6-8) 0.91 6.01 -42.58 1 3 -1 52 210.297 8

Activity (Go SEA)

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