UCSF

ZINC33942171

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 24 No

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) 2.84 6.17 -12.63 2 5 0 79 328.412 2
Hi High (pH 8-9.5) 2.84 7.3 -60.57 1 5 -1 82 327.404 2
Hi High (pH 8-9.5) 2.84 6.57 -50.22 1 5 -1 82 327.404 2

Activity (Go SEA)

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