UCSF

ZINC06385070

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.55 5.08 -36.65 1 7 -1 109 336.393 3
Mid Mid (pH 6-8) 1.51 5.79 -12.36 2 7 0 108 337.401 3

Activity (Go SEA)

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