UCSF

ZINC48307237

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 21 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) 6.06 9.25 -39.35 3 2 1 37 286.439 9
Hi High (pH 8-9.5) 6.06 10 -31.06 2 2 0 40 285.431 9

Activity (Go SEA)

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