UCSF

ZINC13741807

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 17 No

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) 2.25 7.41 -43.77 4 4 1 54 255.411 10
Mid Mid (pH 6-8) 2.29 6.97 -22.12 3 4 0 55 254.403 9
Mid Mid (pH 6-8) 2.25 6.95 -15.53 3 4 0 53 254.403 10
Lo Low (pH 4.5-6) 2.29 6.96 -74.92 4 4 2 56 256.419 9

Activity (Go SEA)

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