UCSF

ZINC44686378

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 Yes

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) 3.92 8.64 -33.3 2 3 1 26 419.181 6
Hi High (pH 8-9.5) 3.92 6.31 -2.1 1 3 0 24 418.173 6

Activity (Go SEA)

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