UCSF

ZINC35511585

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 5.91 9.66 -7.71 2 5 0 62 423.314 4
Lo Low (pH 4.5-6) 5.91 10.04 -30.14 3 5 1 64 424.322 4

Activity (Go SEA)

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