UCSF

ZINC19924461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 3.35 3.26 -61.46 1 5 -1 82 270.264 4
Hi High (pH 8-9.5) 3.35 3.9 -96.49 0 5 -2 85 269.256 4
Lo Low (pH 4.5-6) 3.35 3.66 -84.24 2 5 0 84 271.272 4

Activity (Go SEA)

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