UCSF

ZINC19721903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 13 Yes

Other Names:

MFCD07644521

NA

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) 2.11 4.39 -19.27 1 2 0 33 214.051 0
Mid Mid (pH 6-8) 3.41 4.01 -36.43 0 2 -1 36 213.043 0

Activity (Go SEA)

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