UCSF

ZINC22742830

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 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) 1.93 3.25 -29.49 2 9 0 120 428.536 11
Hi High (pH 8-9.5) 2.00 2.35 -56.2 1 9 -1 126 427.528 11

Activity (Go SEA)

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

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