UCSF

ZINC39869923

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 No

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) 5.71 12.76 -213.02 0 8 -3 137 465.85 6
Mid Mid (pH 6-8) 5.71 13.26 -136.93 1 8 -2 135 466.858 6

Activity (Go SEA)

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