UCSF

ZINC05819164

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 22 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 5.21 -57.99 1 4 -1 69 296.277 3
Mid Mid (pH 6-8) 2.69 -1.42 -11.12 2 4 0 66 297.285 2
Mid Mid (pH 6-8) 1.67 -1.55 -16.26 1 4 0 63 297.285 3

Activity (Go SEA)

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