UCSF

ZINC05998590

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 27 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) 2.19 0.63 -15.93 4 9 0 139 376.317 4
Hi High (pH 8-9.5) 2.19 1.56 -50.03 3 9 -1 142 375.309 4

Activity (Go SEA)

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