UCSF

ZINC20423507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 21 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) -0.29 4.5 -40.96 3 8 1 85 294.383 3
Mid Mid (pH 6-8) -0.29 4.34 -36.28 3 8 1 85 294.383 3
Mid Mid (pH 6-8) -0.29 2.02 -8.66 2 8 0 84 293.375 3
Lo Low (pH 4.5-6) -0.29 4.85 -89.6 4 8 2 86 295.391 3

Activity (Go SEA)

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