UCSF

ZINC22781992

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 1.80 6.87 -49.77 2 6 1 57 363.457 5
Hi High (pH 8-9.5) 1.80 4.64 -16.17 1 6 0 56 362.449 5
Hi High (pH 8-9.5) 1.80 6.87 -46.07 2 6 1 57 363.457 5

Activity (Go SEA)

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