UCSF

ZINC34821182

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 32 No

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) -0.42 3.67 -15.39 3 10 0 139 435.44 5
Lo Low (pH 4.5-6) -0.42 4.14 -46.12 4 10 1 140 436.448 5

Activity (Go SEA)

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