UCSF

ZINC67695501

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 20 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) 1.18 3.56 -46.03 3 3 1 40 291.44 2
Lo Low (pH 4.5-6) 1.18 6.07 -106.66 4 3 2 41 292.448 2

Activity (Go SEA)

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