UCSF

ZINC34651129

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) -0.04 -0.14 -43.67 3 3 1 40 173.28 4
Hi High (pH 8-9.5) -0.04 1.94 -28.96 3 3 1 40 173.28 4

Activity (Go SEA)

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