UCSF

ZINC39044674

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 20 Yes

Other Names:

MFCD22192605

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) 2.75 8.15 -40.61 0 3 -1 57 275.299 3
Mid Mid (pH 6-8) 2.75 6.72 -12.24 1 3 0 54 276.307 3
Mid Mid (pH 6-8) 2.17 9.58 -10.23 0 3 0 51 276.307 3

Activity (Go SEA)

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