UCSF

ZINC35150999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 0.61 2.57 -34.36 2 3 1 35 174.264 5
Hi High (pH 8-9.5) 0.61 1.24 -2.96 1 3 0 30 173.256 5

Activity (Go SEA)

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