UCSF

ZINC05882202

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 4.10 7.75 -48.47 3 3 1 45 331.292 4
Mid Mid (pH 6-8) 4.10 7.36 -4.62 2 3 0 44 330.284 4

Activity (Go SEA)

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