UCSF

ZINC55225061

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 28 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) 4.30 9.42 -39.55 2 4 1 37 383.556 6
Hi High (pH 8-9.5) 4.30 7.54 -4.66 1 4 0 36 382.548 6

Activity (Go SEA)

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