UCSF

ZINC16756591

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 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) 4.25 10.28 -21.94 1 7 0 82 449.532 6
Hi High (pH 8-9.5) 4.25 10.35 -58.38 0 7 -1 84 448.524 6

Activity (Go SEA)

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