UCSF

ZINC50563644

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 19 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) 2.66 6.71 -88.49 4 3 2 41 264.413 5
Hi High (pH 8-9.5) 2.66 4.55 -43.24 3 3 1 40 263.405 5
Hi High (pH 8-9.5) 2.66 6.31 -33.05 3 3 1 40 263.405 5

Activity (Go SEA)

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