UCSF

ZINC22917912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 37 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) 6.61 11.85 -12.07 0 6 0 50 496.655 10
Mid Mid (pH 6-8) 6.61 12.16 -11.17 0 6 0 50 496.655 10
Mid Mid (pH 6-8) 6.61 14.1 -47.95 1 6 1 51 497.663 10
Mid Mid (pH 6-8) 6.61 14.41 -46.53 1 6 1 51 497.663 10

Activity (Go SEA)

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