UCSF

ZINC45697125

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 13 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) 0.68 5.21 -88.49 3 3 2 30 190.331 9
Hi High (pH 8-9.5) 0.68 3.86 -33.01 2 3 1 26 189.323 9

Activity (Go SEA)

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