UCSF

ZINC36998810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 0.75 6.96 -34.96 3 2 1 30 237.342 3
Mid Mid (pH 6-8) 0.75 7.33 -134.73 4 2 2 32 238.35 3

Activity (Go SEA)

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