UCSF

ZINC02584525

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 25 No

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) 6.02 11.94 -8.2 0 4 0 48 339.435 10
Lo Low (pH 4.5-6) 6.02 12.28 -40.96 1 4 1 50 340.443 10
Lo Low (pH 4.5-6) 6.02 11.58 -43.47 1 4 1 50 340.443 10

Activity (Go SEA)

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