UCSF

ZINC31802080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 34 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) 3.41 7.44 -24.75 2 8 0 110 474.542 7
Mid Mid (pH 6-8) 3.41 7.48 -57.72 1 8 -1 112 473.534 7

Activity (Go SEA)

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