UCSF

ZINC41587268

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) 3.53 8.47 -12.3 0 8 0 98 422.437 4
Lo Low (pH 4.5-6) 3.53 11.32 -50.81 1 8 1 99 423.445 4

Activity (Go SEA)

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