UCSF

ZINC34996601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 0.97 5.79 -38.78 2 4 1 37 268.425 3
Mid Mid (pH 6-8) 0.97 4.62 -47.32 2 4 1 40 268.425 3
Lo Low (pH 4.5-6) 0.97 6.84 -114.78 3 4 2 41 269.433 3

Activity (Go SEA)

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