UCSF

ZINC19731996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 18 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) 1.62 4.37 -36.99 3 4 1 43 250.366 5
Hi High (pH 8-9.5) 1.62 1.9 -4.9 2 4 0 42 249.358 5
Mid Mid (pH 6-8) 1.62 4.23 -38.69 3 4 1 43 250.366 5

Activity (Go SEA)

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