UCSF

ZINC26259313

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 20 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) 4.21 10.19 -42.31 1 3 1 31 386.253 3
Hi High (pH 8-9.5) 4.21 7.84 -4.41 0 3 0 30 385.245 3

Activity (Go SEA)

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