UCSF

ZINC19606631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 15 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) 2.17 6.74 -34.36 1 2 1 8 207.341 5
Hi High (pH 8-9.5) 2.17 4.52 -2.05 0 2 0 6 206.333 5
Mid Mid (pH 6-8) 2.17 6.92 -36.15 1 2 1 8 207.341 5
Lo Low (pH 4.5-6) 2.17 8.98 -109.04 2 2 2 9 208.349 5

Activity (Go SEA)

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