UCSF

ZINC39914285

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 6.33 11.22 -12.59 2 7 0 88 512.05 10
Mid Mid (pH 6-8) 6.33 11.98 -49.25 1 7 -1 91 511.042 10

Activity (Go SEA)

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