UCSF

ZINC36637243

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 23 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) -0.18 4.03 -65.32 2 9 1 97 340.433 5
Mid Mid (pH 6-8) -0.18 1.68 -20.42 1 9 0 96 339.425 5

Activity (Go SEA)

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