UCSF

ZINC08469968

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2006 26 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) 3.21 8.09 -12.09 1 9 0 115 356.338 6
Hi High (pH 8-9.5) 3.21 7.94 -37.08 0 9 -1 113 355.33 6

Activity (Go SEA)

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