UCSF

ZINC35138332

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) -1.46 -2.64 -46.14 5 5 1 86 174.224 4
Hi High (pH 8-9.5) -1.46 -3.04 -9.24 4 5 0 84 173.216 4

Activity (Go SEA)

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