UCSF

ZINC19884476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 2.06 3.6 -10.05 2 4 0 54 304.147 2
Mid Mid (pH 6-8) 2.06 3.99 -31.96 3 4 1 55 305.155 2

Activity (Go SEA)

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