UCSF

ZINC42459308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) -0.16 2.94 -38.53 3 3 1 40 191.32 6
Mid Mid (pH 6-8) -0.16 1.68 -6.85 2 3 0 38 190.312 6

Activity (Go SEA)

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