UCSF

ZINC39708814

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 27 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) 4.21 10.99 -44.72 1 6 -1 69 487.186 6
Mid Mid (pH 6-8) 3.48 11.22 -18.05 2 6 0 72 488.194 6

Activity (Go SEA)

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