UCSF

ZINC01543020

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 43 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) 7.09 16.93 -48.43 0 9 -1 102 572.693 11
Mid Mid (pH 6-8) 7.09 17.41 -47.21 1 9 0 103 573.701 11
Lo Low (pH 4.5-6) 7.09 17.18 -55.47 1 9 0 103 573.701 11
Lo Low (pH 4.5-6) 7.09 17.65 -98.39 2 9 1 104 574.709 11

Activity (Go SEA)

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