UCSF

ZINC43411990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.26 7.37 -52 3 4 1 48 251.329 3
Hi High (pH 8-9.5) 2.26 5.01 -9.92 2 4 0 47 250.321 3
Lo Low (pH 4.5-6) 2.26 7.85 -93.17 4 4 2 50 252.337 3

Activity (Go SEA)

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