UCSF

ZINC37786688

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) 3.61 7.76 -34.47 2 4 1 34 267.441 9
Hi High (pH 8-9.5) 3.61 5.9 -3.45 1 4 0 33 266.433 9

Activity (Go SEA)

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