UCSF

ZINC04149803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 29 No

Other Names:

MFCD01049114

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) 4.32 -1.81 -23.65 1 7 0 141 387.443 2
Mid Mid (pH 6-8) 4.32 -0.92 -43.96 2 7 1 142 388.451 2

Activity (Go SEA)

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