UCSF

ZINC05313822

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 26 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) 4.17 4.42 -14 3 7 0 100 415.247 5
Hi High (pH 8-9.5) 4.17 5.12 -55.19 2 7 -1 102 414.239 5

Activity (Go SEA)

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