UCSF

ZINC70519091

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) 3.41 5.98 -36.87 3 3 1 46 278.416 8
Hi High (pH 8-9.5) 3.41 4.88 -3.31 2 3 0 41 277.408 8

Activity (Go SEA)

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