UCSF

ZINC37995967

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 2.11 3.02 -44.72 3 3 1 40 263.283 7
Lo Low (pH 4.5-6) 2.11 5.25 -94.59 4 3 2 41 264.291 7

Activity (Go SEA)

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