UCSF

ZINC43252266

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.51 2.99 -46.93 4 3 1 51 303.879 5
Hi High (pH 8-9.5) 2.51 2.63 -3.45 3 3 0 49 302.871 5
Mid Mid (pH 6-8) 2.51 4.42 -36.3 4 3 1 51 303.879 5
Mid Mid (pH 6-8) 2.51 4.71 -121.13 5 3 2 52 304.887 5

Activity (Go SEA)

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