UCSF

ZINC52231145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 3.52 7.27 -11.4 0 1 0 17 254.61 4
Hi High (pH 8-9.5) 2.98 6.1 -37.69 0 1 -1 23 253.602 3

Activity (Go SEA)

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