UCSF

ZINC00606754

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 27 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) 3.97 5.73 -14.32 2 6 0 85 372.417 4
Hi High (pH 8-9.5) 3.97 6.59 -55.29 1 6 -1 88 371.409 4

Activity (Go SEA)

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