UCSF

ZINC37805269

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.05 5.87 -48.91 2 5 1 57 266.365 5
Hi High (pH 8-9.5) 0.05 4.51 -11.12 1 5 0 53 265.357 5

Activity (Go SEA)

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