UCSF

ZINC27766469

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 25 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) 2.76 7.03 -36.4 2 4 1 49 358.824 2
Hi High (pH 8-9.5) 2.76 5.59 -8.21 1 4 0 45 357.816 2

Activity (Go SEA)

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