UCSF

ZINC38339219

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 26 No

Other Names:

MFCD09954373

N/A

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) 2.42 9.82 -56.34 3 5 1 74 367.45 5
Mid Mid (pH 6-8) 2.42 9.53 -18.39 2 5 0 73 366.442 5

Activity (Go SEA)

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