UCSF

ZINC34518964

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.28 -0.92 -49.22 6 4 1 83 166.204 2
Hi High (pH 8-9.5) -0.28 -1.33 -9.75 5 4 0 81 165.196 2

Activity (Go SEA)

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