UCSF

ZINC04067380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 31 No

Other Names:

MFCD01367228

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) 5.70 0.03 -9.88 0 5 0 64 437.923 7
Mid Mid (pH 6-8) 5.70 0.07 -12.86 0 5 0 64 437.923 7
Mid Mid (pH 6-8) 5.88 1.34 -11.25 0 5 0 64 437.923 7
Mid Mid (pH 6-8) 5.88 0.22 -10.73 0 5 0 64 437.923 7

Activity (Go SEA)

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