UCSF

ZINC42299387

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 No

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) 0.24 0.95 -15.11 1 5 0 53 227.308 4
Mid Mid (pH 6-8) 0.24 3.1 -45.73 2 5 1 54 228.316 4

Activity (Go SEA)

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