UCSF

ZINC40164233

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 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) 5.16 10.26 -49.37 1 3 -1 60 375.573 4
Lo Low (pH 4.5-6) 5.16 8.29 -6.12 2 3 0 58 376.581 4

Activity (Go SEA)

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