UCSF

ZINC42549713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 0.49 8.37 -53.68 1 5 0 81 231.255 5
Mid Mid (pH 6-8) 0.49 7.84 -47.66 0 5 -1 80 230.247 5

Activity (Go SEA)

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