UCSF

ZINC34538463

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 1.07 6.53 -117.56 0 4 -2 80 198.218 4
Lo Low (pH 4.5-6) 1.07 4.55 -46.47 1 4 -1 77 199.226 4

Activity (Go SEA)

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