UCSF

ZINC36783413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.82 2.1 -46.6 3 3 1 40 213.345 5
Mid Mid (pH 6-8) 0.82 4 -121.19 4 3 2 41 214.353 5
Mid Mid (pH 6-8) 0.82 3.95 -30.5 3 3 1 40 213.345 5

Activity (Go SEA)

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