UCSF

ZINC24887439

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.50 5.62 -40.6 2 3 1 33 246.378 5
Mid Mid (pH 6-8) 1.50 8 -112.61 3 3 2 34 247.386 5

Activity (Go SEA)

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