UCSF

ZINC21799940

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) 3.32 10.49 -54.08 1 3 1 22 298.797 2
Mid Mid (pH 6-8) 3.32 8.16 -8.98 0 3 0 21 297.789 2
Mid Mid (pH 6-8) 3.32 8.95 -28.97 1 3 1 22 298.797 2

Activity (Go SEA)

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