UCSF

ZINC33580951

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 34 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) 4.37 11.82 -48.32 0 7 -1 100 475.546 6
Lo Low (pH 4.5-6) 4.37 10.52 -18.82 1 7 0 97 476.554 6

Activity (Go SEA)

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