UCSF

ZINC34671859

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 5.48 15.14 -14.27 0 4 0 33 454.614 6
Lo Low (pH 4.5-6) 5.48 16.96 -44.26 1 4 1 34 455.622 6

Activity (Go SEA)

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