UCSF

ZINC41587230

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 5.39 10.35 -10.28 0 5 0 56 415.489 4
Lo Low (pH 4.5-6) 5.39 13.22 -49.18 1 5 1 57 416.497 4

Activity (Go SEA)

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