UCSF

ZINC40864827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 16 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) 0.75 4.17 -38.03 2 4 1 41 222.312 3
Hi High (pH 8-9.5) 0.75 1.94 -6.7 1 4 0 40 221.304 3
Mid Mid (pH 6-8) 0.75 4.48 -88.9 3 4 2 42 223.32 3
Mid Mid (pH 6-8) 0.75 2.25 -28.07 2 4 1 41 222.312 3

Activity (Go SEA)

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