UCSF

ZINC25463866

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 20 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) 2.97 3.33 -58.81 1 5 -1 77 306.754 3
Mid Mid (pH 6-8) 2.97 3.26 -19.79 2 5 0 75 307.762 3

Activity (Go SEA)

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