UCSF

ZINC39712273

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 13 Yes

Other Names:

MFCD07370034

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) 2.66 5.62 -111 4 2 2 33 188.359 8
Mid Mid (pH 6-8) 2.66 4.39 -36.87 3 2 1 29 187.351 8
Mid Mid (pH 6-8) 2.66 4.26 -32.39 3 2 1 29 187.351 8

Activity (Go SEA)

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