UCSF

ZINC37053363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.35 3.83 -42.85 4 5 1 77 351.279 3
Hi High (pH 8-9.5) 2.35 1.4 -6.78 3 5 0 75 350.271 3

Activity (Go SEA)

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