UCSF

ZINC71148728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 19 Yes

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) 2.35 6.51 -100.83 3 3 2 24 304.265 5
Hi High (pH 8-9.5) 2.35 4.18 -40.05 2 3 1 23 303.257 5

Activity (Go SEA)

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