UCSF

ZINC33809090

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 21 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) 2.51 6.72 -27.61 0 6 -1 91 323.375 3
Lo Low (pH 4.5-6) 2.51 5.93 -18.04 1 6 0 88 324.383 3

Activity (Go SEA)

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