UCSF

ZINC53214004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 22 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) 2.36 7.68 -37.15 2 5 1 54 324.47 6
Hi High (pH 8-9.5) 2.36 5.4 -9.23 1 5 0 53 323.462 6

Activity (Go SEA)

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