UCSF

ZINC06752647

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 23 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) 4.78 12.05 -10.67 0 3 0 27 308.425 7
Mid Mid (pH 6-8) 4.78 12.34 -29.37 1 3 1 28 309.433 7

Activity (Go SEA)

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