UCSF

ZINC29222425

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 25 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) 1.73 4.18 -51.9 4 7 1 92 355.503 9
Mid Mid (pH 6-8) 1.73 2 -20.09 3 7 0 91 354.495 9

Activity (Go SEA)

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