UCSF

ZINC06690434

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 27 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) 3.41 9.72 -65.96 1 6 -1 87 368.388 7
Lo Low (pH 4.5-6) 3.41 9.98 -68.2 2 6 0 88 369.396 7

Activity (Go SEA)

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