UCSF

ZINC22915430

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 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) 0.44 7.07 -52.9 1 6 1 48 363.507 4
Hi High (pH 8-9.5) 0.44 4.83 -17.17 0 6 0 47 362.499 4
Hi High (pH 8-9.5) 0.44 7.06 -48.2 1 6 1 48 363.507 4

Activity (Go SEA)

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