UCSF

ZINC43253774

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.26 1.75 -37.66 5 4 1 74 302.851 4
Hi High (pH 8-9.5) 1.26 1.4 -5.82 4 4 0 72 301.843 4
Mid Mid (pH 6-8) 1.26 2.72 -26.94 5 4 1 74 302.851 4

Activity (Go SEA)

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