UCSF

ZINC41681741

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) -0.04 3.23 -106.13 5 5 2 78 315.483 8
Hi High (pH 8-9.5) -0.04 1.75 -53.47 4 5 1 77 314.475 8
Hi High (pH 8-9.5) -0.04 2.9 -43.29 4 5 1 77 314.475 8

Activity (Go SEA)

Rings

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