UCSF

ZINC40075545

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 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) 0.37 4.12 -64.25 1 8 -1 116 360.342 8
Mid Mid (pH 6-8) 0.37 3.24 -16.47 2 8 0 113 361.35 8

Activity (Go SEA)

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