UCSF

ZINC44686855

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) 4.15 9.75 -33.91 2 2 1 16 301.479 4
Hi High (pH 8-9.5) 4.15 7.41 -4.25 1 2 0 15 300.471 4

Activity (Go SEA)

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