UCSF

ZINC19261706

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 18 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) 2.39 6.06 -102.66 4 3 2 35 255.45 3
Hi High (pH 8-9.5) 2.39 3.74 -40.01 3 3 1 34 254.442 3
Mid Mid (pH 6-8) 2.39 5.46 -124.29 4 3 2 35 255.45 3

Activity (Go SEA)

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