UCSF

ZINC37008218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.98 3.35 -10.28 1 5 0 54 233.271 3
Mid Mid (pH 6-8) 0.98 3.69 -34.06 2 5 1 56 234.279 3

Activity (Go SEA)

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