UCSF

ZINC35807809

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 36 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) 2.56 4.72 -16.91 1 9 0 91 513.616 13
Lo Low (pH 4.5-6) 2.56 6.71 -60.1 2 9 1 93 514.624 13

Activity (Go SEA)

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