UCSF

ZINC37806328

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) -0.17 5.67 -43.94 3 5 1 66 266.365 6
Hi High (pH 8-9.5) -0.17 4.31 -15.56 2 5 0 61 265.357 6

Activity (Go SEA)

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