UCSF

ZINC34132656

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 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) -1.36 -3.12 -51 5 4 1 77 161.225 6
Hi High (pH 8-9.5) -1.36 -3.5 -9.22 4 4 0 75 160.217 6

Activity (Go SEA)

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