UCSF

ZINC44623968

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 3.38 7.25 -40.84 2 3 1 34 297.22 4
Hi High (pH 8-9.5) 3.38 6.54 -6.69 1 3 0 30 296.212 4
Lo Low (pH 4.5-6) 3.38 7.77 -104.29 3 3 2 36 298.228 4

Activity (Go SEA)

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