UCSF

ZINC01124088

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 25 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) 3.44 7.77 -25.79 2 6 0 84 360.483 6
Hi High (pH 8-9.5) 3.50 6.1 -67.34 1 6 -1 90 359.475 6

Activity (Go SEA)

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