UCSF

ZINC18137909

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 22 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) 3.54 8.36 -15.87 1 4 0 59 308.362 3
Hi High (pH 8-9.5) 4.00 5.9 -55.95 0 4 -1 62 307.354 3

Activity (Go SEA)

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