UCSF

ZINC48895218

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 21 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) -0.28 5.3 -53.5 2 6 1 66 292.359 4
Mid Mid (pH 6-8) -0.28 3.99 -12.63 1 6 0 62 291.351 4

Activity (Go SEA)

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