UCSF

ZINC58023448

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 0.96 6.4 -47.95 1 5 1 43 299.778 4
Mid Mid (pH 6-8) 0.96 4.15 -13.06 0 5 0 42 298.77 4

Activity (Go SEA)

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