UCSF

ZINC43406594

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.92 7.94 -28.63 4 5 1 70 288.419 3
Hi High (pH 8-9.5) 0.92 5.79 -7.08 3 5 0 69 287.411 3
Mid Mid (pH 6-8) 0.92 6.95 -87.32 5 5 2 72 289.427 3

Activity (Go SEA)

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