UCSF

ZINC57814873

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 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) 3.20 5.48 -22.07 4 4 1 65 268.34 2
Hi High (pH 8-9.5) 3.20 5.02 -12.77 3 4 0 64 267.332 2
Mid Mid (pH 6-8) 3.20 7.1 -19.77 3 4 0 68 267.332 2
Lo Low (pH 4.5-6) 3.20 5.32 -90.11 5 4 2 67 269.348 2

Activity (Go SEA)

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