UCSF

ZINC34769999

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 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) -0.82 -3.61 -38.2 6 5 1 100 174.224 4
Hi High (pH 8-9.5) -0.82 -3.96 -11.14 5 5 0 98 173.216 4

Activity (Go SEA)

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