UCSF

ZINC37819352

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.48 4.67 -59.59 3 6 1 71 299.439 5
Hi High (pH 8-9.5) 1.48 4.58 -11.05 2 6 0 70 298.431 5

Activity (Go SEA)

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