UCSF

ZINC13550607

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Download: MOL2 SDF SMILES Flexibase

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) 5.92 13.01 -67.01 0 6 -1 83 483.569 5
Mid Mid (pH 6-8) 6.36 12.95 -24.51 1 6 0 80 484.577 4
Mid Mid (pH 6-8) 5.33 13.24 -14.81 0 6 0 77 484.577 5

Activity (Go SEA)

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