UCSF

ZINC00660283

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 Yes

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) 4.48 -2.22 -10.24 3 4 0 68 387.436 3
Lo Low (pH 4.5-6) 4.48 -2.07 -32.73 4 4 1 69 388.444 3

Activity (Go SEA)

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