UCSF

ZINC20505462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 20 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) 5.86 7.57 -5.96 2 3 0 49 351.016 2
Hi High (pH 8-9.5) 5.86 8.43 -46.26 1 3 -1 52 350.008 2

Activity (Go SEA)

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