UCSF

ZINC45696783

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 11 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) -0.79 -0.97 -43.56 4 4 1 69 161.225 6
Hi High (pH 8-9.5) -0.79 -2.18 -9 3 4 0 64 160.217 6

Activity (Go SEA)

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