UCSF

ZINC35206866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 12 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) 0.22 3.3 -44.48 3 3 1 48 171.264 5
Hi High (pH 8-9.5) 0.22 2.93 -7.31 2 3 0 46 170.256 5

Activity (Go SEA)

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