UCSF

ZINC35017579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 No

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) -0.78 -0.33 -23.08 2 11 0 145 495.533 7
Mid Mid (pH 6-8) -0.78 0.29 -58.08 1 11 -1 148 494.525 7
Lo Low (pH 4.5-6) -0.78 1.36 -59.84 3 11 1 147 496.541 7

Activity (Go SEA)

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