UCSF

ZINC35128147

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 17 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) -0.65 3.01 -43.28 2 6 1 66 239.299 2
Mid Mid (pH 6-8) -0.65 0.77 -7.5 1 6 0 65 238.291 2

Activity (Go SEA)

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