UCSF

ZINC34540058

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 2.90 6.87 -46.88 0 3 -1 49 272.118 4
Lo Low (pH 4.5-6) 2.90 4.88 -6.17 1 3 0 47 273.126 4

Activity (Go SEA)

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