UCSF

ZINC41662692

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) 3.62 7.81 -14.55 0 8 0 69 503.599 7
Mid Mid (pH 6-8) 3.62 10.08 -54.93 1 8 1 71 504.607 7

Activity (Go SEA)

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