UCSF

ZINC41708125

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 2.56 9.86 -51.63 1 3 1 26 263.405 5
Hi High (pH 8-9.5) 2.56 7.73 -9.88 0 3 0 25 262.397 5

Activity (Go SEA)

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