UCSF

ZINC09013107

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 27 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) 4.83 11.58 -60.27 0 4 -1 60 362.449 8
Mid Mid (pH 6-8) 4.24 0.79 -9.37 0 4 0 54 363.457 8
Lo Low (pH 4.5-6) 4.83 10.75 -13.32 1 4 0 58 363.457 8

Activity (Go SEA)

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