UCSF

ZINC37213817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.49 8.01 -84.27 3 5 2 49 290.411 6
Hi High (pH 8-9.5) 1.49 5.12 -9.27 1 5 0 46 288.395 6
Mid Mid (pH 6-8) 1.49 7.36 -33.45 2 5 1 47 289.403 6

Activity (Go SEA)

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