UCSF

ZINC00664623

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 No

Other Names:

MFCD03863507

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) 3.96 5.2 -9.72 3 5 0 88 429.224 2
Lo Low (pH 4.5-6) 3.96 5.62 -55.06 4 5 1 89 430.232 2

Activity (Go SEA)

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