UCSF

ZINC37078642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) -0.17 5.13 -35.01 3 2 1 30 179.287 4
Hi High (pH 8-9.5) -0.17 3.47 -38.79 3 2 1 31 179.287 4
Mid Mid (pH 6-8) -0.17 5.47 -122.31 4 2 2 32 180.295 4

Activity (Go SEA)

Rings

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