UCSF

ZINC51526962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 17 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) 1.93 3.91 -37.86 2 4 1 48 239.339 9
Hi High (pH 8-9.5) 1.93 2.46 -5.85 1 4 0 43 238.331 9

Activity (Go SEA)

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