UCSF

ZINC33809938

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 24 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) 4.30 10.23 -13.34 1 4 0 66 355.85 4
Hi High (pH 8-9.5) 4.36 9.32 -41.15 0 4 -1 72 354.842 4

Activity (Go SEA)

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