UCSF

ZINC33819088

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 5.53 13.65 -42.71 1 9 1 96 497.547 8
Mid Mid (pH 6-8) 5.53 14.31 -91.16 2 9 2 97 498.555 8
Mid Mid (pH 6-8) 5.53 12.56 -23.62 0 9 0 95 496.539 8

Activity (Go SEA)

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