UCSF

ZINC42163205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.02 4.4 -63.78 1 6 -1 93 292.34 4
Mid Mid (pH 6-8) 0.56 6.64 -41.47 2 6 0 90 293.348 4

Activity (Go SEA)

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