UCSF

ZINC19366694

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) 2.50 8.15 -32.96 1 2 1 8 231.363 4
Hi High (pH 8-9.5) 2.50 5.84 -2.43 0 2 0 6 230.355 4
Mid Mid (pH 6-8) 2.50 8.16 -34.41 1 2 1 8 231.363 4

Activity (Go SEA)

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