UCSF

ZINC37078367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.07 2.83 -45.71 3 3 1 40 263.283 6
Mid Mid (pH 6-8) 2.07 4.8 -122.16 4 3 2 41 264.291 6

Activity (Go SEA)

Rings

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