UCSF

ZINC15018397

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 27 No

Other Names:

MFCD01112879

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) 6.25 13.28 -12.49 0 4 0 48 374.465 3
Ref Reference (pH 7) 6.25 11.56 -11.73 0 4 0 48 374.465 3
Lo Low (pH 4.5-6) 6.25 12.01 -25.17 1 4 1 49 375.473 3
Lo Low (pH 4.5-6) 6.25 13.61 -23.82 1 4 1 49 375.473 3

Activity (Go SEA)

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