UCSF

ZINC12523904

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 33 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) 4.88 7.06 -50.55 0 7 -1 112 479.559 5
Mid Mid (pH 6-8) 4.88 7.02 -18.09 1 7 0 110 480.567 5

Activity (Go SEA)

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