UCSF

ZINC35896982

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 23 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) 1.48 4.34 -8.54 2 5 0 101 321.409 1
Lo Low (pH 4.5-6) 1.48 6.77 -49.75 3 5 1 102 322.417 1

Activity (Go SEA)

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