UCSF

ZINC41680130

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 0.41 3.65 -92.91 4 5 2 59 259.394 7
Hi High (pH 8-9.5) 0.41 2.27 -38.12 3 5 1 55 258.386 7
Mid Mid (pH 6-8) 0.59 1.35 -45.06 3 5 1 66 258.386 7

Activity (Go SEA)

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