UCSF

ZINC22455311

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.53 7.01 -39.47 1 2 1 8 237.342 3
Hi High (pH 8-9.5) 2.53 4.76 -3.09 0 2 0 6 236.334 3
Mid Mid (pH 6-8) 2.53 7.23 -37.26 1 2 1 8 237.342 3

Activity (Go SEA)

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