UCSF

ZINC38018611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 3.16 6.36 -44.63 3 3 1 46 332.287 5
Hi High (pH 8-9.5) 3.16 5.2 -8.9 2 3 0 41 331.279 5

Activity (Go SEA)

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