UCSF

ZINC08440896

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 37 No

Other Names:

MFCD03861406

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) 3.38 -0.39 -49.53 2 8 1 93 503.575 9
Mid Mid (pH 6-8) 2.80 -0.55 -57.76 1 8 1 90 503.575 9

Activity (Go SEA)

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