UCSF

ZINC36230315

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.83 4.25 -41.23 2 5 0 76 210.233 6
Mid Mid (pH 6-8) 0.83 3.78 -49.19 1 5 -1 74 209.225 6

Activity (Go SEA)

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