UCSF

ZINC34953335

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 4.85 12.33 -10.9 1 6 0 84 487.968 5
Hi High (pH 8-9.5) 5.04 10.74 -44.34 0 6 -1 90 486.96 5

Activity (Go SEA)

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