UCSF

ZINC35574549

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 21 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) 4.63 8.71 -45.32 2 3 1 35 371.32 7
Hi High (pH 8-9.5) 4.63 7.62 -6.37 1 3 0 30 370.312 7

Activity (Go SEA)

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