UCSF

ZINC37335740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 15 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) 3.25 8.29 -39.02 1 2 1 22 291.234 5
Mid Mid (pH 6-8) 3.25 6.41 -7.45 0 2 0 20 290.226 5

Activity (Go SEA)

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