UCSF

ZINC35016017

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.23 5.14 -45.08 4 3 1 57 272.368 5
Hi High (pH 8-9.5) 3.23 3.89 -6.74 3 3 0 52 271.36 5

Activity (Go SEA)

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