UCSF

ZINC42965638

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 24 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) 7.93 12.62 -36.29 3 2 1 29 339.632 17
Mid Mid (pH 6-8) 7.93 13.95 -103.06 4 2 2 33 340.64 17
Mid Mid (pH 6-8) 7.93 12.77 -36.21 3 2 1 29 339.632 17

Activity (Go SEA)

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