UCSF

ZINC41669251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.47 9.29 -18.77 0 8 0 80 517.578 8
Mid Mid (pH 6-8) 4.47 12.14 -67.77 1 8 1 81 518.586 8

Activity (Go SEA)

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