UCSF

ZINC37051565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.63 9.23 -99.02 3 4 2 39 294.487 8
Hi High (pH 8-9.5) 1.63 8.33 -34.98 2 4 1 34 293.479 8

Activity (Go SEA)

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