UCSF

ZINC35054516

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) 1.55 5.5 -49.59 2 4 1 55 283.38 5
Mid Mid (pH 6-8) 1.55 4.13 -13.16 1 4 0 51 282.372 5

Activity (Go SEA)

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