UCSF

ZINC31946040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 1.72 3.47 -10.97 1 4 0 44 274.364 4
Mid Mid (pH 6-8) 1.72 5.84 -43.41 2 4 1 45 275.372 4

Activity (Go SEA)

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