UCSF

ZINC43896936

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 2.25 6.58 -87.69 3 3 2 24 275.44 3
Hi High (pH 8-9.5) 2.25 4.18 -38.86 2 3 1 23 274.432 3
Mid Mid (pH 6-8) 2.25 5.53 -34.6 2 3 1 20 274.432 3
Mid Mid (pH 6-8) 2.25 6.75 -114.27 3 3 2 24 275.44 3

Activity (Go SEA)

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