UCSF

ZINC04312395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 27 No

Other Names:

MFCD02048182

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.30 1.33 -43.66 2 5 1 62 365.453 5
Mid Mid (pH 6-8) 2.27 1.15 -44.73 1 5 1 58 365.453 6

Activity (Go SEA)

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