UCSF

ZINC44623998

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) 2.69 7.71 -43.49 2 3 1 34 295.204 4
Hi High (pH 8-9.5) 2.69 6.34 -6.25 1 3 0 30 294.196 4

Activity (Go SEA)

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