UCSF

ZINC36366973

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 23 Yes

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) 3.18 10.92 -8.99 1 4 0 47 323.783 2
Lo Low (pH 4.5-6) 3.18 11.37 -43.4 2 4 1 48 324.791 2

Activity (Go SEA)

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