UCSF

ZINC00519695

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 4.49 0.18 -7.76 1 2 0 28 258.324 1
Lo Low (pH 4.5-6) 4.49 0.31 -29.78 2 2 1 29 259.332 1

Activity (Go SEA)

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