UCSF

ZINC34671752

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 37 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) 5.71 13.84 -12.01 1 5 0 51 498.667 9
Lo Low (pH 4.5-6) 5.71 15.66 -46.9 2 5 1 52 499.675 9

Activity (Go SEA)

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