UCSF

ZINC22992664

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 27 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) 1.99 6.01 -26.4 2 8 0 106 405.505 6
Hi High (pH 8-9.5) 2.05 5.16 -102.41 0 8 -2 114 403.489 6
Mid Mid (pH 6-8) 1.99 6.08 -56.38 1 8 -1 108 404.497 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.