UCSF

ZINC33781376

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 18 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) 1.30 4.2 -61.83 2 5 -1 89 315.143 4
Hi High (pH 8-9.5) 1.30 5.22 -120.37 1 5 -2 92 314.135 4

Activity (Go SEA)

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