UCSF

ZINC02383533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 22 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) 3.20 7.37 -15.39 0 6 0 78 303.362 10
Lo Low (pH 4.5-6) 3.20 7.91 -36.9 1 6 1 79 304.37 10

Activity (Go SEA)

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