UCSF

ZINC43396702

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.21 2.33 -18.71 2 5 0 76 285.394 2
Mid Mid (pH 6-8) 0.21 2.76 -53.77 3 5 1 78 286.402 2

Activity (Go SEA)

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