UCSF

ZINC38093129

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 14 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) 1.52 6.01 -103.84 3 3 2 34 198.31 6
Hi High (pH 8-9.5) 1.52 2.41 -3.39 1 3 0 28 196.294 6
Hi High (pH 8-9.5) 1.52 4.85 -32.85 2 3 1 30 197.302 6

Activity (Go SEA)

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