UCSF

ZINC44685668

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.51 6.17 -37.77 2 4 1 35 295.79 4
Hi High (pH 8-9.5) 2.51 3.84 -5.2 1 4 0 34 294.782 4
Lo Low (pH 4.5-6) 2.51 5.05 -50.21 2 4 1 38 295.79 4

Activity (Go SEA)

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