UCSF

ZINC28640585

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 21 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) 1.94 1.09 -42.42 1 6 -1 94 325.391 5
Hi High (pH 8-9.5) 1.94 1.22 -101.38 0 6 -2 96 324.383 5

Activity (Go SEA)

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