UCSF

ZINC34559596

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 4.05 13.67 -49.76 2 4 1 46 413.52 5
Lo Low (pH 4.5-6) 4.05 14.14 -111.01 3 4 2 47 414.528 5

Activity (Go SEA)

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