UCSF

ZINC05832866

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 28 No

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) 3.92 9.49 -12.42 1 5 0 56 373.456 3
Hi High (pH 8-9.5) 3.92 10.22 -48.04 0 5 -1 59 372.448 3
Lo Low (pH 4.5-6) 3.92 10.25 -67.21 2 5 0 57 374.464 3

Activity (Go SEA)

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