UCSF

ZINC01694701

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 13 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -2.60 -0.33 -29.41 0 2 1 3 183.319 3
Mid Mid (pH 6-8) -2.60 3.02 -99.89 1 2 2 4 184.327 3

Activity (Go SEA)

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