UCSF

ZINC39645959

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 21 Yes

Other Names:

MFCD20257790

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) 3.19 10.02 -45.45 1 3 1 23 286.395 7
Mid Mid (pH 6-8) 3.19 7.7 -6.81 0 3 0 22 285.387 7

Activity (Go SEA)

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