UCSF

ZINC41587403

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 5.93 12.21 -10.65 0 5 0 52 455.554 7
Mid Mid (pH 6-8) 5.93 15.09 -53.16 1 5 1 53 456.562 7

Activity (Go SEA)

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