UCSF

ZINC41650371

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 5.48 9.81 -11.57 0 7 0 70 519.981 5
Mid Mid (pH 6-8) 5.48 12.67 -53.62 1 7 1 72 520.989 5

Activity (Go SEA)

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