UCSF

ZINC33723548

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) 3.68 10.14 -55.31 2 8 0 104 496.604 13
Lo Low (pH 4.5-6) 3.68 9.01 -52.07 3 8 1 101 497.612 13

Activity (Go SEA)

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