UCSF

ZINC43409891

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.47 8.06 -107.5 4 3 2 45 303.372 6
Hi High (pH 8-9.5) 3.47 7.55 -6.76 2 3 0 42 301.356 6
Mid Mid (pH 6-8) 3.47 7.64 -55.93 3 3 1 44 302.364 6
Mid Mid (pH 6-8) 3.47 7.67 -24.5 3 3 1 43 302.364 6

Activity (Go SEA)

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