UCSF

ZINC21640182

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 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) 4.63 10.69 -48.34 1 6 1 46 396.559 7
Hi High (pH 8-9.5) 4.63 8.3 -7.73 0 6 0 45 395.551 7

Activity (Go SEA)

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