UCSF

ZINC34624168

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) -0.86 0.52 -190.12 8 4 3 75 239.387 9
Hi High (pH 8-9.5) -0.86 0.13 -103.17 7 4 2 74 238.379 9

Activity (Go SEA)

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