UCSF

ZINC23360152

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 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) 2.92 7.37 -20.16 1 6 0 73 335.429 8
Hi High (pH 8-9.5) 2.98 6.46 -46.91 0 6 -1 80 334.421 8

Activity (Go SEA)

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