UCSF

ZINC33115228

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 23 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) 2.03 6.99 -44.23 2 5 1 56 338.497 9
Hi High (pH 8-9.5) 2.03 4.71 -9.11 1 5 0 54 337.489 9

Activity (Go SEA)

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