UCSF

ZINC21813375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.56 9.28 -35.59 2 2 1 16 269.412 6
Mid Mid (pH 6-8) 3.56 7.15 -2.71 1 2 0 15 268.404 6
Mid Mid (pH 6-8) 3.56 8.5 -40.56 2 2 1 20 269.412 6
Lo Low (pH 4.5-6) 3.56 10.7 -130.09 3 2 2 21 270.42 6

Activity (Go SEA)

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