UCSF

ZINC19872608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 0.91 4.8 -50.98 3 2 1 31 223.315 2
Hi High (pH 8-9.5) 0.91 4.51 -3.46 2 2 0 29 222.307 2

Activity (Go SEA)

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