UCSF

ZINC59389255

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 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) 4.43 8.57 -37.89 2 3 1 34 342.301 8
Mid Mid (pH 6-8) 4.43 6.8 -7.05 1 3 0 32 341.293 8

Activity (Go SEA)

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