UCSF

ZINC22795772

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 2.02 4 -41.9 2 5 1 46 300.329 5
Hi High (pH 8-9.5) 2.02 1.62 -12.69 1 5 0 45 299.321 5

Activity (Go SEA)

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