UCSF

ZINC43982098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.67 5.11 -29.76 2 3 1 20 256.458 7
Hi High (pH 8-9.5) 2.67 6.28 -34.74 2 3 1 20 256.458 7
Hi High (pH 8-9.5) 2.67 4.92 -35.98 2 3 1 23 256.458 7
Mid Mid (pH 6-8) 2.67 7.38 -106.62 3 3 2 21 257.466 7
Mid Mid (pH 6-8) 2.67 6.15 -110.31 3 3 2 24 257.466 7
Lo Low (pH 4.5-6) 2.67 8.81 -208.64 4 3 3 25 258.474 7

Activity (Go SEA)

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