UCSF

ZINC41248392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 25 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) 4.90 9.53 -9.8 1 3 0 50 328.367 2
Hi High (pH 8-9.5) 4.90 10.3 -43.93 0 3 -1 53 327.359 2

Activity (Go SEA)

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