UCSF

ZINC57998320

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 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) 4.51 7.9 -12.45 1 4 0 51 332.201 4
Hi High (pH 8-9.5) 4.51 7.47 -42.28 0 4 -1 49 331.193 4

Activity (Go SEA)

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