UCSF

ZINC05771971

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 18 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) 0.80 6.87 -25.22 5 4 1 78 239.302 3
Hi High (pH 8-9.5) 0.80 6.84 -14.79 4 4 0 76 238.294 3
Lo Low (pH 4.5-6) 0.80 6.92 -96.52 6 4 2 80 240.31 3

Activity (Go SEA)

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