UCSF

ZINC01329722

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 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) 2.43 -7.56 -15.85 2 8 0 114 398.51 8
Hi High (pH 8-9.5) 2.43 -6.98 -40.09 1 8 -1 116 397.502 8

Activity (Go SEA)

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