UCSF

ZINC34531066

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 5.59 3.9 -8.84 4 4 0 81 378.468 4
Mid Mid (pH 6-8) 5.59 4.47 -47.56 3 4 -1 84 377.46 4

Activity (Go SEA)

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