UCSF

ZINC21502031

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 4.90 10.28 -45.77 3 1 1 28 280.435 2
Hi High (pH 8-9.5) 4.90 9.92 -5.15 2 1 0 26 279.427 2

Activity (Go SEA)

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