UCSF

ZINC21959660

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 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) 0.92 1.74 -36.74 2 3 1 23 200.35 5
Hi High (pH 8-9.5) 0.92 2.8 -33.05 2 3 1 20 200.35 5
Mid Mid (pH 6-8) 0.92 4.19 -110.22 3 3 2 24 201.358 5
Mid Mid (pH 6-8) 0.92 3.97 -100.06 3 3 2 24 201.358 5
Lo Low (pH 4.5-6) 0.92 6.43 -188.98 4 3 3 25 202.366 5

Activity (Go SEA)

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