UCSF

ZINC37295902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 3.82 8.96 -38.23 2 4 1 43 307.801 5
Mid Mid (pH 6-8) 3.82 6.68 -5.77 1 4 0 42 306.793 5

Activity (Go SEA)

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