UCSF

ZINC42765220

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 3.85 7.63 -7.17 0 3 0 36 300.324 9
Lo Low (pH 4.5-6) 3.85 9.69 -47.01 1 3 1 37 301.332 9

Activity (Go SEA)

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