UCSF

ZINC33701194

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 No

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) 4.23 11.23 -41.73 0 7 -1 88 486.544 8
Lo Low (pH 4.5-6) 4.23 10.1 -18.26 1 7 0 85 487.552 8

Activity (Go SEA)

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