UCSF

ZINC34611022

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 3.48 11.86 -103.03 4 2 2 32 322.496 6
Hi High (pH 8-9.5) 3.48 9.67 -43.74 3 2 1 31 321.488 6

Activity (Go SEA)

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