UCSF

ZINC41650293

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 4.82 8.85 -11.37 0 6 0 61 447.512 4
Lo Low (pH 4.5-6) 4.82 11.69 -49.74 1 6 1 62 448.52 4

Activity (Go SEA)

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