UCSF

ZINC44518143

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 0.34 5.78 -172.34 5 4 3 46 258.43 6
Hi High (pH 8-9.5) 0.34 4.49 -75.22 4 4 2 41 257.422 6
Mid Mid (pH 6-8) 0.34 6.28 -90.35 4 4 2 49 257.422 6

Activity (Go SEA)

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