UCSF

ZINC23066246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 21 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) 0.96 4.89 -50.12 3 4 1 49 293.431 6
Hi High (pH 8-9.5) 0.96 4.56 -4.34 2 4 0 48 292.423 6
Lo Low (pH 4.5-6) 0.96 6.72 -139.73 4 4 2 51 294.439 6

Activity (Go SEA)

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