UCSF

ZINC38003902

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 1.64 5.63 -12.38 1 4 0 59 229.283 3
Lo Low (pH 4.5-6) 1.64 5.63 -43.7 2 4 1 60 230.291 3

Activity (Go SEA)

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