UCSF

ZINC22938113

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 16 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) -1.07 1.12 -159.83 7 4 3 63 231.408 8
Hi High (pH 8-9.5) -1.07 -1.25 -93.91 6 4 2 62 230.4 8

Activity (Go SEA)

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