UCSF

ZINC06197081

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 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) 2.14 -0.59 -46.27 2 8 1 93 441.504 8
Mid Mid (pH 6-8) 1.56 -0.77 -54.35 1 8 1 90 441.504 8

Activity (Go SEA)

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