UCSF

ZINC19482423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) -1.06 3.23 -41.81 3 4 1 51 248.35 3
Hi High (pH 8-9.5) -1.06 2.87 -8.24 2 4 0 50 247.342 3
Mid Mid (pH 6-8) -1.06 5.62 -97 4 4 2 52 249.358 3

Activity (Go SEA)

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