UCSF

ZINC44221761

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 34 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) 8.26 14.61 -44.48 3 5 1 64 493.778 19
Mid Mid (pH 6-8) 8.26 13.79 -11.83 2 5 0 60 492.77 19

Activity (Go SEA)

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