UCSF

ZINC20394616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 27 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) 4.26 9.38 -42.83 0 5 -1 67 444.33 3
Lo Low (pH 4.5-6) 3.81 10.45 -11.58 1 5 0 64 445.338 3

Activity (Go SEA)

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