UCSF

ZINC19796371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 22 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) 0.25 3.36 -112.21 4 6 2 63 311.426 6
Mid Mid (pH 6-8) 0.25 0.89 -55.65 3 6 1 62 310.418 6

Activity (Go SEA)

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