UCSF

ZINC42305810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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) 1.31 8.3 -20.22 0 6 0 64 275.308 6
Lo Low (pH 4.5-6) 1.31 8.59 -33.46 1 6 1 65 276.316 6

Activity (Go SEA)

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