UCSF

ZINC16599746

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 32 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) 4.33 9.71 -57.93 3 6 1 80 452.6 8
Hi High (pH 8-9.5) 4.33 9.8 -80.42 2 6 0 82 451.592 8

Activity (Go SEA)

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