UCSF

ZINC51488967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 16 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) 1.54 7 -43.34 2 3 1 33 218.324 3
Hi High (pH 8-9.5) 1.54 5.59 -4.94 1 3 0 28 217.316 3
Mid Mid (pH 6-8) 1.54 7.47 -94.14 3 3 2 34 219.332 3

Activity (Go SEA)

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