UCSF

ZINC58602389

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 31 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) 4.66 11.99 -71.28 1 9 -1 152 436.787 6
Hi High (pH 8-9.5) 4.85 9.59 -119.48 0 9 -2 158 435.779 6

Activity (Go SEA)

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