UCSF

ZINC57531499

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 27 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) 3.08 10.05 -50.91 2 6 1 57 369.489 6
Hi High (pH 8-9.5) 3.08 7.6 -13.63 1 6 0 56 368.481 6

Activity (Go SEA)

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