UCSF

ZINC39899240

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 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) 4.21 8.77 -12.18 2 6 0 82 451.313 4
Mid Mid (pH 6-8) 4.21 9.12 -16.85 2 6 0 82 451.313 4

Activity (Go SEA)

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