UCSF

ZINC69236758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 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) 2.40 7.95 -97.99 4 3 2 45 247.386 5
Hi High (pH 8-9.5) 2.40 7.58 -22.1 3 3 1 43 246.378 5
Hi High (pH 8-9.5) 2.40 7.53 -48.65 3 3 1 44 246.378 5

Activity (Go SEA)

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