UCSF

ZINC28693139

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 25 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) 2.61 8.23 -9.28 0 4 0 36 337.467 4
Mid Mid (pH 6-8) 2.61 10.52 -50.53 1 4 1 38 338.475 4

Activity (Go SEA)

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