UCSF

ZINC37052319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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 5.08 -10.4 2 4 0 56 286.306 3
Mid Mid (pH 6-8) 0.24 5.38 -49.31 3 4 1 57 287.314 3

Activity (Go SEA)

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