UCSF

ZINC43247464

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.54 1.5 -44.89 4 3 1 51 269.434 5
Hi High (pH 8-9.5) 1.54 1 -3.52 3 3 0 49 268.426 5
Mid Mid (pH 6-8) 1.54 2.82 -27.96 4 3 1 51 269.434 5
Lo Low (pH 4.5-6) 1.54 3.19 -121.89 5 3 2 52 270.442 5

Activity (Go SEA)

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