UCSF

ZINC39927695

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 23 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) 3.88 8.94 -43.52 0 3 -1 53 334.195 4
Lo Low (pH 4.5-6) 3.88 9.27 -40.46 1 3 0 54 335.203 4

Activity (Go SEA)

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