UCSF

ZINC35634131

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) 0.96 0.1 -47.54 1 6 -1 94 284.342 4
Lo Low (pH 4.5-6) 0.96 0.05 -13.9 2 6 0 92 285.35 4

Activity (Go SEA)

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