UCSF

ZINC34671645

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 35 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) 5.32 12.62 -13.66 1 5 0 51 472.629 10
Lo Low (pH 4.5-6) 5.32 14.44 -43.11 2 5 1 52 473.637 10

Activity (Go SEA)

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