UCSF

ZINC16731559

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 4.25 11.01 -57.45 0 6 -1 79 434.512 11
Mid Mid (pH 6-8) 4.69 9.11 -28.89 1 6 0 76 435.52 10
Mid Mid (pH 6-8) 3.67 10.09 -23.78 0 6 0 73 435.52 11

Activity (Go SEA)

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