UCSF

ZINC43406481

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 No

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) 0.62 7.44 -30.33 4 5 1 70 274.392 3
Hi High (pH 8-9.5) 0.62 5.21 -7.09 3 5 0 69 273.384 3
Mid Mid (pH 6-8) 0.62 6.44 -88.25 5 5 2 72 275.4 3

Activity (Go SEA)

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