UCSF

ZINC52212390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 2.12 8.38 -9.52 1 3 0 38 278.402 1
Hi High (pH 8-9.5) 2.57 7.32 -38.57 0 3 -1 41 277.394 1

Activity (Go SEA)

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