UCSF

ZINC41656298

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 4.27 8.5 -47.4 0 3 -1 53 262.716 2
Lo Low (pH 4.5-6) 4.27 8.89 -39.73 1 3 0 54 263.724 2

Activity (Go SEA)

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