UCSF

ZINC08779137

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 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) 2.31 -0.68 -48.82 2 8 1 93 441.504 8
Mid Mid (pH 6-8) 1.72 -0.86 -57.67 1 8 1 90 441.504 8

Activity (Go SEA)

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