UCSF

ZINC36986237

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) 2.28 3.93 -45.05 2 4 1 44 236.291 2
Hi High (pH 8-9.5) 2.28 2.78 -5.18 1 4 0 40 235.283 2

Activity (Go SEA)

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