UCSF

ZINC14255692

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 20 Yes

Other Names:

MFCD05137097

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) 3.87 5.97 -8.68 1 3 0 46 297.326 4
Mid Mid (pH 6-8) 3.87 6.01 -39.17 0 3 -1 48 296.318 4

Activity (Go SEA)

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