UCSF

ZINC44923447

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 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) 0.29 2.38 -35.24 2 6 0 79 245.286 3
Hi High (pH 8-9.5) 0.29 1.83 -38.79 1 6 -1 74 244.278 3
Lo Low (pH 4.5-6) 0.29 2.37 -40.3 3 6 1 80 246.294 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.