UCSF

ZINC34555527

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 4.20 7.81 -7.59 1 3 0 46 270.719 1
Hi High (pH 8-9.5) 4.66 5.98 -47.11 0 3 -1 49 269.711 1

Activity (Go SEA)

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