UCSF

ZINC37084156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.17 5.4 -32.15 3 3 1 34 288.459 5
Hi High (pH 8-9.5) 2.17 6.51 -34.61 3 3 1 34 288.459 5
Mid Mid (pH 6-8) 2.17 5.79 -124.19 4 3 2 35 289.467 5
Mid Mid (pH 6-8) 2.17 3.99 -43.34 3 3 1 34 288.459 5

Activity (Go SEA)

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