UCSF

ZINC42867650

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 11 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) 1.52 2.38 -4.78 0 2 0 16 190.699 4
Mid Mid (pH 6-8) 1.52 4.71 -36.44 1 2 1 17 191.707 4

Activity (Go SEA)

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