UCSF

ZINC43959337

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 22 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) -0.15 10.06 -35.48 1 4 1 47 304.41 4
Hi High (pH 8-9.5) -0.15 11.06 -64.67 0 4 0 49 303.402 4

Activity (Go SEA)

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