UCSF

ZINC35163921

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 4.42 11.38 -58.64 0 7 -1 88 504.534 10
Lo Low (pH 4.5-6) 4.42 10.64 -17.52 1 7 0 85 505.542 10

Activity (Go SEA)

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