UCSF

ZINC22465179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 3.16 8.43 -46.08 2 4 1 37 321.448 3
Hi High (pH 8-9.5) 3.16 7.03 -10.4 1 4 0 33 320.44 3
Mid Mid (pH 6-8) 3.16 8.85 -80.52 3 4 2 38 322.456 3

Activity (Go SEA)

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