UCSF

ZINC15673794

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2008 26 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) 1.32 3.55 -15.57 1 9 0 105 384.41 8
Hi High (pH 8-9.5) 1.32 3.62 -45.98 0 9 -1 107 383.402 8

Activity (Go SEA)

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