UCSF

ZINC43253447

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.62 6.88 -99.23 4 3 2 35 315.914 5
Hi High (pH 8-9.5) 2.62 4.31 -1.25 2 3 0 32 313.898 5
Mid Mid (pH 6-8) 2.62 4.67 -45.28 3 3 1 34 314.906 5

Activity (Go SEA)

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