UCSF

ZINC43700652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) 1.13 3.83 -53.48 1 6 -1 90 284.675 2
Hi High (pH 8-9.5) 1.13 4.74 -107.56 0 6 -2 93 283.667 2

Activity (Go SEA)

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