UCSF

ZINC12020223

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 32 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) 1.91 4.92 -63.04 2 9 1 114 482.604 9
Mid Mid (pH 6-8) 1.91 2.78 -26.03 1 9 0 113 481.596 9

Activity (Go SEA)

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