UCSF

ZINC34464833

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 21 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) 4.70 11.4 -4.59 0 1 0 13 273.379 3
Lo Low (pH 4.5-6) 4.70 11.86 -35.03 1 1 1 14 274.387 3

Activity (Go SEA)

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