UCSF

ZINC13685816

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 12 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) 0.70 5.14 -39 3 3 1 45 168.264 6
Mid Mid (pH 6-8) 0.70 5.62 -84.26 4 3 2 47 169.272 6
Mid Mid (pH 6-8) 0.70 5.11 -42.75 3 3 1 45 168.264 6

Activity (Go SEA)

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