UCSF

ZINC53132134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 3.96 9.52 -43.3 2 2 1 29 289.83 7
Lo Low (pH 4.5-6) 3.96 9.99 -98.31 3 2 2 31 290.838 7

Activity (Go SEA)

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