UCSF

ZINC41652176

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) 2.45 4.57 -9.62 0 5 0 52 315.369 2
Lo Low (pH 4.5-6) 2.45 7.49 -42.9 1 5 1 53 316.377 2

Activity (Go SEA)

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