UCSF

ZINC14931616

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 25 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) 2.75 9.13 -13.93 1 5 0 66 335.407 5
Hi High (pH 8-9.5) 3.20 6.85 -61.81 0 5 -1 69 334.399 5

Activity (Go SEA)

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