UCSF

ZINC41586692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.85 6.74 -6.67 0 4 0 43 313.397 1
Mid Mid (pH 6-8) 3.85 9.74 -43.62 1 4 1 44 314.405 1

Activity (Go SEA)

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