UCSF

ZINC04168841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 No

Other Names:

MFCD03863045

Download: MOL2 SDF SMILES Flexibase

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) 2.28 2.85 -13.53 4 8 0 126 424.482 4
Ref Reference (pH 7) 2.64 1.98 -15.57 3 8 0 122 424.482 4
Lo Low (pH 4.5-6) 2.28 3.08 -64.04 5 8 1 128 425.49 4

Activity (Go SEA)

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