UCSF

ZINC44879842

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) -0.30 0.97 -45.44 5 6 1 92 241.315 4
Hi High (pH 8-9.5) -0.12 -0.81 -37.41 4 6 0 98 240.307 4

Activity (Go SEA)

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