UCSF

ZINC34541649

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 3.58 9.93 -125.73 0 5 -2 93 305.289 3
Lo Low (pH 4.5-6) 3.58 10.85 -57.98 1 5 -1 94 306.297 3

Activity (Go SEA)

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