UCSF

ZINC13568166

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 21 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) 1.50 5.87 -40.68 2 4 1 47 287.383 8
Lo Low (pH 4.5-6) 1.50 6.15 -97.72 3 4 2 48 288.391 8

Activity (Go SEA)

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