UCSF

ZINC42171742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 14 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) 0.68 4.03 -84.83 3 3 2 24 199.342 3
Hi High (pH 8-9.5) 0.68 1.65 -36.3 2 3 1 23 198.334 3
Mid Mid (pH 6-8) 0.68 3.92 -103.93 3 3 2 24 199.342 3

Activity (Go SEA)

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