UCSF

ZINC36888985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 0.29 5.83 -14.72 2 3 0 46 274.27 2
Mid Mid (pH 6-8) 0.29 6.13 -48.1 3 3 1 48 275.278 2

Activity (Go SEA)

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