UCSF

ZINC04145095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 No

Other Names:

MFCD01036971

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) 5.76 11.42 -47.6 0 3 -1 52 388.874 1
Ref Reference (pH 7) 5.23 12.49 -22.63 1 3 0 46 389.882 1
Ref Reference (pH 7) 5.18 12.46 -14.9 0 3 0 47 389.882 1
Ref Reference (pH 7) 5.18 11.75 -9.47 0 3 0 47 389.882 1

Activity (Go SEA)

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