UCSF

ZINC04494355

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 26 No

Other Names:

MFCD01049113

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) 4.98 10.76 -15.46 1 4 0 95 362.502 4
Mid Mid (pH 6-8) 4.98 1.7 -39.63 2 4 1 96 363.51 4
Mid Mid (pH 6-8) 4.98 10.92 -13.94 0 4 0 94 361.494 4

Activity (Go SEA)

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