UCSF

ZINC36155374

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) 3.49 4.96 -8.58 1 2 0 33 217.293 1
Hi High (pH 8-9.5) 3.49 5.72 -52.05 0 2 -1 36 216.285 1

Activity (Go SEA)

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