UCSF

ZINC05658319

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 5.36 10.54 -8.52 1 5 0 59 393.443 4
Ref Reference (pH 7) 5.36 10.12 -8.25 1 5 0 59 393.443 4
Hi High (pH 8-9.5) 5.82 9.19 -39.54 0 5 -1 62 392.435 4
Hi High (pH 8-9.5) 5.82 8.52 -40.86 0 5 -1 62 392.435 4

Activity (Go SEA)

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