UCSF

ZINC07587169

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 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) 3.84 9.86 -58.44 0 4 -1 66 329.379 2
Lo Low (pH 4.5-6) 3.84 10.14 -85.04 1 4 0 67 330.387 2

Activity (Go SEA)

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