UCSF

ZINC22064491

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 34 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) 1.75 5.12 -55.91 1 9 1 100 507.658 6
Mid Mid (pH 6-8) 1.75 7.51 -100.48 2 9 2 101 508.666 6
Mid Mid (pH 6-8) 1.75 2.74 -19.66 0 9 0 98 506.65 6

Activity (Go SEA)

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