UCSF

ZINC05155527

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 20 No

Other Names:

MFCD01920856

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) 2.13 5.4 -7.77 2 5 0 79 352.213 1
Hi High (pH 8-9.5) 2.59 3.59 -42.22 1 5 -1 82 351.205 1
Lo Low (pH 4.5-6) 2.64 4.35 -15.59 2 5 0 78 352.213 1

Activity (Go SEA)

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