UCSF

ZINC39712241

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 8 Yes

Other Names:

MFCD07370005

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) 0.25 2.22 -106.45 4 2 2 33 116.208 4
Mid Mid (pH 6-8) 0.25 0.78 -33.12 3 2 1 29 115.2 4
Mid Mid (pH 6-8) 0.25 0.94 -36.28 3 2 1 29 115.2 4

Activity (Go SEA)

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