UCSF

ZINC34610439

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) 0.28 3.36 -12.58 2 7 0 93 252.274 5
Hi High (pH 8-9.5) -0.21 2.03 -38.15 1 7 -1 96 251.266 5

Activity (Go SEA)

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