UCSF

ZINC05444175

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 26 Yes

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) 4.97 7.21 -11.16 1 4 0 60 364.319 4
Hi High (pH 8-9.5) 4.97 8.01 -37.33 0 4 -1 63 363.311 4

Activity (Go SEA)

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