UCSF

ZINC70519356

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 2.39 3.66 -36.89 3 4 1 55 282.404 10
Hi High (pH 8-9.5) 2.39 2.44 -5.56 2 4 0 51 281.396 10

Activity (Go SEA)

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