UCSF

ZINC23127509

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 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) 2.47 8.69 -43 3 5 1 63 386.541 7
Hi High (pH 8-9.5) 2.47 6.4 -7.87 2 5 0 61 385.533 7

Activity (Go SEA)

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