UCSF

ZINC36947169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 0.71 7.21 -53.46 2 5 -1 85 318.18 3
Hi High (pH 8-9.5) 0.71 6.75 -104.24 1 5 -2 83 317.172 3

Activity (Go SEA)

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