UCSF

ZINC46084919

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 27 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) 5.64 10.36 -12.28 1 5 0 64 366.461 7
Hi High (pH 8-9.5) 5.64 11.48 -65.93 0 5 -1 67 365.453 7

Activity (Go SEA)

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