UCSF

ZINC45686491

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.15 8.56 -50.64 2 3 1 43 290.305 8
Mid Mid (pH 6-8) 3.15 7.47 -6.42 1 3 0 38 289.297 8

Activity (Go SEA)

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