UCSF

ZINC53653416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.87 4.67 -8.86 2 6 0 69 348.332 4
Mid Mid (pH 6-8) 1.87 5.05 -37.6 3 6 1 70 349.34 4

Activity (Go SEA)

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