UCSF

ZINC34549518

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 1.97 5.76 -11.38 1 7 0 82 280.328 6
Mid Mid (pH 6-8) 1.48 4.47 -37.16 0 7 -1 85 279.32 6

Activity (Go SEA)

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