UCSF

ZINC06753106

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) 4.72 9.9 -11.74 0 4 0 36 310.397 7
Lo Low (pH 4.5-6) 4.72 10.56 -29.75 1 4 1 38 311.405 7

Activity (Go SEA)

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