UCSF

ZINC21836485

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 32 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) 3.06 11.08 -53.86 2 7 1 72 452.604 5
Mid Mid (pH 6-8) 3.06 8.61 -19.55 1 7 0 70 451.596 5

Activity (Go SEA)

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