UCSF

ZINC09305395

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 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) 4.32 8.73 -20.9 2 6 0 80 480.331 7
Hi High (pH 8-9.5) 4.32 8.58 -44.98 1 6 -1 78 479.323 7

Activity (Go SEA)

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