UCSF

ZINC22007612

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

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) 1.06 2.51 -7.5 0 5 0 42 242.319 3
Mid Mid (pH 6-8) 1.06 4.79 -45.42 1 5 1 43 243.327 3

Activity (Go SEA)

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