UCSF

ZINC44686538

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.22 4.2 -41.98 4 5 1 77 351.279 4
Hi High (pH 8-9.5) 2.22 3.89 -33.17 3 5 0 79 350.271 4
Hi High (pH 8-9.5) 2.22 1.85 -6.91 3 5 0 75 350.271 4

Activity (Go SEA)

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