UCSF

ZINC48716591

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 25 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) 3.05 8.89 -121.12 4 4 2 51 342.483 6
Hi High (pH 8-9.5) 3.05 7.7 -42.09 3 4 1 46 341.475 6
Lo Low (pH 4.5-6) 3.05 6.96 -47.25 3 4 1 49 341.475 6

Activity (Go SEA)

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