UCSF

ZINC34688427

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 No

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) -0.87 15.58 -103.5 3 8 2 92 438.528 10
Hi High (pH 8-9.5) -0.87 13.12 -37.93 2 8 1 91 437.52 10

Activity (Go SEA)

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