UCSF

ZINC29224277

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 26 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) -1.06 10.31 -34.73 0 4 1 24 360.497 5
Mid Mid (pH 6-8) -1.06 12.83 -111.44 1 4 2 25 361.505 5

Activity (Go SEA)

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