UCSF

ZINC37796797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.31 5.26 -62.73 2 5 0 74 238.287 3
Lo Low (pH 4.5-6) 0.31 3.31 -46.31 3 5 1 71 239.295 3

Activity (Go SEA)

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