UCSF

ZINC08695215

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 34 No

Other Names:

MFCD06239852

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) 5.08 11.17 -56.36 3 6 1 82 465.614 13
Mid Mid (pH 6-8) 4.49 11.87 -65.67 2 6 1 79 465.614 13

Activity (Go SEA)

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