UCSF

ZINC04814591

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 27 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) 1.44 7.04 -24.33 2 8 0 102 406.468 7
Hi High (pH 8-9.5) 1.62 5.82 -55.73 1 8 -1 108 405.46 7

Activity (Go SEA)

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