UCSF

ZINC07052120

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 27 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) 2.44 -0.34 -23.91 1 6 0 73 397.378 4
Hi High (pH 8-9.5) 2.44 0.15 -56.21 0 6 -1 75 396.37 4

Activity (Go SEA)

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