UCSF

ZINC20606407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 36 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) 4.41 11.26 -64.19 0 7 -1 88 484.528 9
Lo Low (pH 4.5-6) 4.41 10.43 -17.67 1 7 0 85 485.536 9

Activity (Go SEA)

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