UCSF

ZINC37171729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 1.42 5.36 -33.73 4 4 1 68 221.328 6
Mid Mid (pH 6-8) 1.42 6.41 -7.33 3 4 0 66 220.32 6

Activity (Go SEA)

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