UCSF

ZINC22802836

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 18 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) 0.38 -2.51 -7.49 2 5 0 56 260.378 9
Mid Mid (pH 6-8) 0.38 -0.04 -41.39 3 5 1 57 261.386 9
Mid Mid (pH 6-8) 0.38 -0.11 -36.26 3 5 1 57 261.386 9

Activity (Go SEA)

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