UCSF

ZINC20122107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.27 4.71 -37.66 2 4 1 36 280.436 7
Hi High (pH 8-9.5) 2.27 5.36 -35.8 2 4 1 33 280.436 7
Mid Mid (pH 6-8) 2.27 6.93 -105.19 3 4 2 37 281.444 7
Mid Mid (pH 6-8) 2.27 6.62 -112.1 3 4 2 37 281.444 7
Lo Low (pH 4.5-6) 2.27 8.85 -194.62 4 4 3 39 282.452 7

Activity (Go SEA)

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