UCSF

ZINC41587657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 4.15 8.96 -10.47 0 5 0 56 463.331 3
Lo Low (pH 4.5-6) 4.15 9.42 -43.91 1 5 1 57 464.339 3

Activity (Go SEA)

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