UCSF

ZINC57463252

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 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) 4.61 8.79 -4.22 2 3 0 42 271.408 7
Mid Mid (pH 6-8) 4.61 8.5 -35.13 3 3 1 43 272.416 7

Activity (Go SEA)

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