UCSF

ZINC25412126

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 2.81 6.73 -41.94 2 6 1 55 372.42 5
Hi High (pH 8-9.5) 2.81 4.13 -19.59 1 6 0 54 371.412 5

Activity (Go SEA)

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