UCSF

ZINC33819090

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 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) 6.17 15.09 -42.46 1 9 1 96 515.59 8
Mid Mid (pH 6-8) 6.17 13.99 -23.39 0 9 0 95 514.582 8
Mid Mid (pH 6-8) 6.17 14.65 -59.07 1 9 1 96 515.59 8
Mid Mid (pH 6-8) 6.17 15.75 -91.54 2 9 2 97 516.598 8

Activity (Go SEA)

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