UCSF

ZINC21814321

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 No

Other Names:

MFCD12444500

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) 1.38 1.3 -13.83 4 6 0 97 282.3 4
Mid Mid (pH 6-8) 1.38 1.87 -38.17 4 6 0 100 282.3 4
Mid Mid (pH 6-8) 1.38 1.38 -41.41 3 6 -1 99 281.292 4

Activity (Go SEA)

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