UCSF

ZINC48246720

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 11 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) 1.25 6.29 -38.19 1 2 1 28 155.265 4
Hi High (pH 8-9.5) 1.25 4.57 -6.43 0 2 0 27 154.257 4

Activity (Go SEA)

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