UCSF

ZINC41663112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 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) 3.62 7.42 -9 0 5 0 46 364.445 3
Mid Mid (pH 6-8) 3.62 10.4 -43.03 1 5 1 47 365.453 3
Lo Low (pH 4.5-6) 3.62 11.14 -110.78 2 5 0 48 366.461 3

Activity (Go SEA)

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