UCSF

ZINC20127478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 3.18 7.84 -40.61 2 2 1 29 233.379 4
Lo Low (pH 4.5-6) 3.18 8.28 -105.94 3 2 2 31 234.387 4

Activity (Go SEA)

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