UCSF

ZINC25143333

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 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) 6.79 13.13 -10.15 0 4 0 32 448.492 4
Mid Mid (pH 6-8) 6.79 13.45 -29.5 1 4 1 34 449.5 4

Activity (Go SEA)

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