UCSF

ZINC23595289

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 20 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) 2.13 5.01 -36.7 0 5 -1 69 270.312 4
Lo Low (pH 4.5-6) 1.67 5.83 -10.35 1 5 0 66 271.32 4

Activity (Go SEA)

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