UCSF

ZINC43395614

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) -0.03 4.45 -103.07 4 4 2 54 237.347 3
Hi High (pH 8-9.5) -0.03 4.05 -25.46 3 4 1 53 236.339 3
Mid Mid (pH 6-8) -0.03 4.01 -52.18 3 4 1 53 236.339 3

Activity (Go SEA)

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