UCSF

ZINC06677536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 26 Yes

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) 1.05 9.4 -18.18 0 7 0 69 350.378 5
Mid Mid (pH 6-8) 1.05 9.75 -42.28 1 7 1 71 351.386 5

Activity (Go SEA)

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