UCSF

ZINC37326183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 No

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) 2.07 4.84 -42.47 0 7 -1 106 299.328 3
Mid Mid (pH 6-8) 2.07 3.86 -13.15 1 7 0 103 300.336 3

Activity (Go SEA)

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