UCSF

ZINC40161827

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2010 18 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) 3.37 9.94 -32.48 1 1 1 4 248.296 4
Hi High (pH 8-9.5) 3.37 7.6 -4.92 0 1 0 3 247.288 4

Activity (Go SEA)

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