UCSF

ZINC35734993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 16 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) 0.80 2.81 -34.11 3 4 1 55 227.328 3
Hi High (pH 8-9.5) 0.80 1.49 -6.65 2 4 0 50 226.32 3

Activity (Go SEA)

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