UCSF

ZINC34850811

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 6.33 13.58 -66.63 2 6 1 58 507.674 8
Hi High (pH 8-9.5) 6.33 10.51 -15.52 1 6 0 57 506.666 8

Activity (Go SEA)

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