UCSF

ZINC39712274

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 14 Yes

Other Names:

MFCD07370035

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) 3.17 6.4 -111.24 4 2 2 33 202.386 9
Mid Mid (pH 6-8) 3.17 5.17 -37.03 3 2 1 29 201.378 9
Mid Mid (pH 6-8) 3.17 5.05 -32.42 3 2 1 29 201.378 9

Activity (Go SEA)

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