UCSF

ZINC37301350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.70 6.31 -37.64 2 4 1 35 297.806 6
Mid Mid (pH 6-8) 2.70 5.21 -50.15 2 4 1 38 297.806 6

Activity (Go SEA)

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