UCSF

ZINC12020303

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.07 5.47 -64.94 2 9 1 114 500.594 9
Mid Mid (pH 6-8) 2.07 2.05 -25.31 1 9 0 113 499.586 9

Activity (Go SEA)

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