UCSF

ZINC35839923

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 27 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) 0.74 2.57 -47.56 2 8 1 83 383.513 9
Mid Mid (pH 6-8) 0.74 0.27 -10.99 1 8 0 82 382.505 9

Activity (Go SEA)

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