UCSF

ZINC48332747

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 25 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) 2.24 5.79 -47.13 3 7 1 75 349.455 7
Hi High (pH 8-9.5) 2.24 3.52 -11.34 2 7 0 74 348.447 7
Mid Mid (pH 6-8) 2.24 5.52 -48.82 3 7 1 75 349.455 7

Activity (Go SEA)

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