UCSF

ZINC28762728

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 30 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) 6.47 16.88 -34.76 1 2 1 14 398.57 8
Hi High (pH 8-9.5) 6.47 14.32 -5.11 0 2 0 12 397.562 8

Activity (Go SEA)

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