UCSF

ZINC04060729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 30 No

Other Names:

MFCD00770927

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) 5.65 1.57 -8.21 0 4 0 55 403.522 5
Mid Mid (pH 6-8) 5.83 0.29 -9.48 0 4 0 55 403.522 5
Mid Mid (pH 6-8) 5.65 1.19 -11.44 0 4 0 55 403.522 5

Activity (Go SEA)

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