UCSF

ZINC36785082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 1.05 4.56 -97.76 4 3 2 41 214.353 7
Hi High (pH 8-9.5) 1.05 5.12 -37.84 3 3 1 44 213.345 7
Hi High (pH 8-9.5) 1.05 3.27 -32.63 3 3 1 37 213.345 7

Activity (Go SEA)

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