UCSF

ZINC43393943

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.72 6.42 -113.01 4 3 2 35 263.429 3
Hi High (pH 8-9.5) 1.72 6.32 -27.89 3 3 1 34 262.421 3
Hi High (pH 8-9.5) 1.72 5.26 -42.08 3 3 1 34 262.421 3

Activity (Go SEA)

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