UCSF

ZINC22034494

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 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) 1.59 6.67 -40.8 2 5 1 40 337.463 8
Hi High (pH 8-9.5) 1.59 4.45 -8.53 1 5 0 39 336.455 8
Mid Mid (pH 6-8) 1.59 5.82 -46.08 2 5 1 43 337.463 8

Activity (Go SEA)

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