UCSF

ZINC00646450

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 Yes

Other Names:

MFCD03847685

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) 2.73 8.85 -16.99 2 9 0 103 406.446 5
Lo Low (pH 4.5-6) 2.91 9.02 -39.16 3 9 1 108 407.454 5

Activity (Go SEA)

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