UCSF

ZINC37008132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.26 1.89 -50.3 2 7 -1 115 299.328 6
Mid Mid (pH 6-8) 0.26 1.95 -98.41 1 7 -2 117 298.32 6

Activity (Go SEA)

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