UCSF

ZINC20057784

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 37 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) 2.67 5.98 -49.8 1 9 -1 112 509.579 10
Mid Mid (pH 6-8) 2.67 8.31 -65.19 2 9 0 113 510.587 10

Activity (Go SEA)

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