UCSF

ZINC54534581

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2010 19 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) 0.55 6.78 -9.96 0 4 0 46 256.305 4
Lo Low (pH 4.5-6) 0.55 7.23 -42.64 1 4 1 48 257.313 4

Activity (Go SEA)

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