UCSF

ZINC69739975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 17 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) 1.93 4.66 -47.63 2 4 1 51 261.411 7
Hi High (pH 8-9.5) 1.93 2.19 -9.49 1 4 0 49 260.403 7

Activity (Go SEA)

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