UCSF

ZINC20433236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) -0.38 1.82 -19.69 2 4 0 50 229.349 4
Mid Mid (pH 6-8) -0.38 4.15 -56.08 3 4 1 51 230.357 4

Activity (Go SEA)

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