UCSF

ZINC08617115

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 20 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) 2.86 -0.88 -8.47 0 4 0 55 329.153 2
Lo Low (pH 4.5-6) 2.86 -0.78 -40.56 1 4 1 57 330.161 2

Activity (Go SEA)

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