UCSF

ZINC20310573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 34 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) 3.70 10.72 -74.73 2 8 0 111 466.534 10
Hi High (pH 8-9.5) 3.70 11.74 -130.4 1 8 -1 114 465.526 10
Hi High (pH 8-9.5) 3.70 8.5 -66.24 1 8 -1 110 465.526 10

Activity (Go SEA)

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