UCSF

ZINC21811303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.77 8.22 -12.54 2 3 0 49 303.789 4
Mid Mid (pH 6-8) 4.77 9.25 -51.38 1 3 -1 52 302.781 4

Activity (Go SEA)

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