UCSF

ZINC35099208

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 20 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) 1.25 -0.03 -48.02 2 6 -1 104 310.742 4
Lo Low (pH 4.5-6) 1.25 -0.06 -15.84 3 6 0 102 311.75 4

Activity (Go SEA)

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