UCSF

ZINC33902494

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 30 No

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) 2.90 9.85 -64.6 4 9 1 138 436.51 11
Hi High (pH 8-9.5) 2.90 9.46 -14.45 3 9 0 136 435.502 11

Activity (Go SEA)

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