UCSF

ZINC37986840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 0.07 -0.27 -19.63 3 7 0 104 294.336 5
Mid Mid (pH 6-8) 0.07 -0.11 -46.09 2 7 -1 106 293.328 5

Activity (Go SEA)

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