UCSF

ZINC22932986

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) 0.70 7.72 -42.89 1 6 1 48 412.352 6
Hi High (pH 8-9.5) 0.70 5.5 -16.32 0 6 0 47 411.344 6
Hi High (pH 8-9.5) 0.70 7.72 -44.96 1 6 1 48 412.352 6

Activity (Go SEA)

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