UCSF

ZINC26835661

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 19 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) 3.78 7.22 -6.99 1 3 0 47 254.285 4
Hi High (pH 8-9.5) 3.78 8.07 -53.66 0 3 -1 49 253.277 4

Activity (Go SEA)

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