UCSF

ZINC42781874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.68 6.79 -115.32 3 3 2 24 257.466 9
Hi High (pH 8-9.5) 2.68 5.25 -37.65 2 3 1 23 256.458 9
Mid Mid (pH 6-8) 2.68 7.6 -89.21 3 3 2 24 257.466 9
Lo Low (pH 4.5-6) 2.68 9.26 -207.03 4 3 3 25 258.474 9

Activity (Go SEA)

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