UCSF

ZINC43461005

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 3.37 3.77 -12.82 2 5 0 71 320.146 2
Hi High (pH 8-9.5) 3.37 3.3 -43.63 1 5 -1 69 319.138 2
Mid Mid (pH 6-8) 3.37 4.52 -38.42 1 5 -1 74 319.138 2

Activity (Go SEA)

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