UCSF

ZINC43970538

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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 8.76 -94 3 3 2 21 277.456 6
Hi High (pH 8-9.5) 2.51 6.72 -34.06 2 3 1 20 276.448 6
Mid Mid (pH 6-8) 2.51 10.14 -185.53 4 3 3 25 278.464 6
Mid Mid (pH 6-8) 2.51 8.12 -83.73 3 3 2 24 277.456 6

Activity (Go SEA)

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