UCSF

ZINC20372527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.89 8.32 -42.28 2 5 1 50 325.436 4
Mid Mid (pH 6-8) 2.89 5.94 -11.27 1 5 0 48 324.428 4

Activity (Go SEA)

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