UCSF

ZINC43405103

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.00 9.33 -102.7 4 3 2 45 283.419 4
Mid Mid (pH 6-8) 3.00 8.92 -50.36 3 3 1 44 282.411 4

Activity (Go SEA)

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