UCSF

ZINC21806702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 No

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) 0.86 2.69 -48.87 4 5 1 87 282.323 4
Hi High (pH 8-9.5) 0.86 2.38 -9.06 3 5 0 85 281.315 4
Mid Mid (pH 6-8) 0.40 4.48 -96.81 5 5 1 89 282.323 2

Activity (Go SEA)

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