UCSF

ZINC13522222

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 4.50 7.42 -14.54 1 3 0 46 294.445 3
Hi High (pH 8-9.5) 4.96 6.06 -48.58 0 3 -1 49 293.437 3

Activity (Go SEA)

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