UCSF

ZINC43417177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.93 4.26 -94.82 6 5 2 88 280.416 7
Mid Mid (pH 6-8) 0.93 3.72 -52.87 5 5 1 87 279.408 7

Activity (Go SEA)

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