UCSF

ZINC21812407

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.29 9.11 -139.15 4 2 2 32 278.484 3
Hi High (pH 8-9.5) 3.29 8.73 -32.86 3 2 1 30 277.476 3
Hi High (pH 8-9.5) 3.29 7.18 -44.69 3 2 1 31 277.476 3

Activity (Go SEA)

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