UCSF

ZINC22460866

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 27 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) 1.91 4.15 -15.53 1 4 0 44 402.585 4
Mid Mid (pH 6-8) 1.91 6.48 -56.15 2 4 1 45 403.593 4
Mid Mid (pH 6-8) 1.91 5.59 -58.45 2 4 1 45 403.593 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.