UCSF

ZINC13613433

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 24 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) 4.37 7.98 -12.53 1 5 0 72 367.854 7
Hi High (pH 8-9.5) 4.37 8.05 -35.74 0 5 -1 75 366.846 7

Activity (Go SEA)

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