UCSF

ZINC35114172

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 10 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) -0.64 -3.57 -40.3 5 4 1 80 147.198 5
Hi High (pH 8-9.5) -0.64 -4.83 -9.62 4 4 0 75 146.19 5

Activity (Go SEA)

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