UCSF

ZINC34976023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 3.84 4.31 -6.69 2 3 0 52 234.274 2
Lo Low (pH 4.5-6) 3.84 4.24 -27.44 3 3 1 53 235.282 2

Activity (Go SEA)

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