UCSF

ZINC60032587

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 12 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) 1.32 1.12 -40.43 4 3 1 60 191.32 6
Hi High (pH 8-9.5) 1.32 0.17 -7.98 3 3 0 55 190.312 6
Hi High (pH 8-9.5) 1.32 1.66 -46.39 4 3 0 60 190.312 6

Activity (Go SEA)

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