UCSF

ZINC16734120

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 4.34 10.56 -41.04 0 7 -1 88 486.972 11
Mid Mid (pH 6-8) 4.79 9.22 -31.22 1 7 0 85 487.98 10
Mid Mid (pH 6-8) 3.76 10.21 -24.09 0 7 0 82 487.98 11

Activity (Go SEA)

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