UCSF

ZINC35511597

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 4.35 6.36 -11.71 2 8 0 90 455.268 4
Lo Low (pH 4.5-6) 4.35 6.55 -40.09 3 8 1 91 456.276 4

Activity (Go SEA)

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