UCSF

ZINC34470227

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 5.21 10.64 -44.13 3 2 1 37 318.44 6
Hi High (pH 8-9.5) 5.21 10.43 -5.3 2 2 0 35 317.432 6

Activity (Go SEA)

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