UCSF

ZINC43448120

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) -0.76 3.72 -96.69 4 5 2 56 272.437 7
Hi High (pH 8-9.5) -0.76 1.47 -49.83 3 5 1 54 271.429 7
Mid Mid (pH 6-8) -0.76 3.45 -108.69 4 5 2 56 272.437 7

Activity (Go SEA)

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