UCSF

ZINC22038984

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 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) 1.89 3.62 -49.77 3 5 1 59 323.457 8
Hi High (pH 8-9.5) 1.89 2.25 -6.66 2 5 0 54 322.449 8
Lo Low (pH 4.5-6) 1.89 4.11 -39.68 3 5 1 55 323.457 8

Activity (Go SEA)

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