UCSF

ZINC37075067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.20 10.45 -38.81 2 1 1 17 274.334 5
Hi High (pH 8-9.5) 4.20 9.4 -3.71 1 1 0 12 273.326 5

Activity (Go SEA)

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