UCSF

ZINC02721461

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 24 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) 3.67 9.84 -15.98 1 4 0 47 319.408 6
Mid Mid (pH 6-8) 0.26 -0.1 -36.69 2 4 1 48 320.416 6
Mid Mid (pH 6-8) 3.74 8.58 -39.9 2 4 1 52 320.416 6
Mid Mid (pH 6-8) 3.74 7.52 -28.45 2 4 1 52 320.416 6
Mid Mid (pH 6-8) 3.67 10.15 -36.78 2 4 1 48 320.416 6
Lo Low (pH 4.5-6) 3.74 8.9 -97.12 3 4 2 53 321.424 6

Activity (Go SEA)

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