UCSF

ZINC37240497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 3.50 9.05 -117.42 3 3 2 34 364.271 6
Mid Mid (pH 6-8) 3.50 6.85 -40.13 2 3 1 33 363.263 6
Mid Mid (pH 6-8) 3.50 8.88 -33.69 2 3 1 30 363.263 6

Activity (Go SEA)

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