UCSF

ZINC52254242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 19 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) 3.21 7.61 -4.36 1 3 0 47 272.291 5
Hi High (pH 8-9.5) 3.21 7.39 -45.41 0 3 -1 49 271.283 5

Activity (Go SEA)

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