UCSF

ZINC06424812

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 23 No

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) 2.56 5.95 -14.66 3 6 0 79 326.381 5
Ref Reference (pH 7) 2.56 5.67 -13.53 3 6 0 79 326.381 5
Hi High (pH 8-9.5) 3.02 4.13 -49.15 2 6 -1 82 325.373 5
Hi High (pH 8-9.5) 3.02 3.73 -47.41 2 6 -1 82 325.373 5

Activity (Go SEA)

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