UCSF

ZINC22612595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.00 12.89 -42.95 1 6 1 61 431.969 8
Mid Mid (pH 6-8) 4.00 10.39 -10.97 0 6 0 60 430.961 8

Activity (Go SEA)

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