UCSF

ZINC66088076

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 25 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) 1.78 3.74 -66.78 1 6 -1 90 358.395 6
Lo Low (pH 4.5-6) 1.78 2.84 -17.69 2 6 0 87 359.403 6

Activity (Go SEA)

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