UCSF

ZINC37862215

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 20 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) 1.96 1.69 -13.29 2 5 0 70 279.336 4
Hi High (pH 8-9.5) 1.96 2.65 -60.83 1 5 -1 73 278.328 4

Activity (Go SEA)

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