UCSF

ZINC28839185

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 18 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) 0.07 1.84 -16.01 2 6 0 84 262.294 4
Hi High (pH 8-9.5) -0.11 0.77 -38.18 1 6 -1 90 261.286 4

Activity (Go SEA)

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