UCSF

ZINC37796962

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 11 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) 0.54 2.4 -5.91 1 2 0 25 166.249 3
Lo Low (pH 4.5-6) 0.54 3.78 -43.06 2 2 1 29 167.257 3

Activity (Go SEA)

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