UCSF

ZINC52287588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 Yes

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) 2.28 4.55 -7.3 2 4 0 58 263.728 3
Mid Mid (pH 6-8) 2.73 3.27 -39.63 2 4 0 65 263.728 3
Mid Mid (pH 6-8) 2.28 5.37 -52.82 3 4 1 62 264.736 3

Activity (Go SEA)

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