UCSF

ZINC19118181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2008 21 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) 1.39 5.12 -14.47 3 6 0 74 286.383 1
Mid Mid (pH 6-8) 1.39 5.59 -23.88 4 6 1 75 287.391 1
Mid Mid (pH 6-8) 1.39 7.54 -54.36 4 6 1 75 287.391 1
Lo Low (pH 4.5-6) 1.06 5.26 -89.96 4 6 2 73 288.399 1
Lo Low (pH 4.5-6) 1.39 5.56 -23.54 4 6 1 75 287.391 1

Activity (Go SEA)

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