UCSF

ZINC37802809

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.66 2.79 -50.64 3 5 1 64 289.403 3
Hi High (pH 8-9.5) 0.66 2.58 -8.96 2 5 0 62 288.395 3
Mid Mid (pH 6-8) 0.66 3.52 -92.55 4 5 2 65 290.411 3
Mid Mid (pH 6-8) 0.66 5.01 -113.05 4 5 2 65 290.411 3

Activity (Go SEA)

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