UCSF

ZINC45698309

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 0.27 4.68 -94.09 4 4 2 50 227.352 8
Hi High (pH 8-9.5) 0.27 3.52 -39.18 3 4 1 46 226.344 8
Hi High (pH 8-9.5) 0.45 2.22 -74.48 3 4 1 56 226.344 8

Activity (Go SEA)

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