UCSF

ZINC41120784

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 30 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) 5.59 9.22 -52.05 0 6 -1 94 434.884 5
Mid Mid (pH 6-8) 5.41 10.89 -16 1 6 0 88 435.892 5

Activity (Go SEA)

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