UCSF

ZINC37692635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 13 No

Other Names:

MFCD08706433

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) -0.43 -1.67 -55.11 3 4 1 71 206.287 3
Mid Mid (pH 6-8) -0.43 -2.82 -12.46 2 4 0 66 205.279 3

Activity (Go SEA)

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