UCSF

ZINC19512223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) -0.74 2.91 -87.89 3 5 2 45 242.367 3
Hi High (pH 8-9.5) -0.74 -0.68 -8.36 1 5 0 39 240.351 3
Mid Mid (pH 6-8) -0.74 2.92 -99.73 3 5 2 45 242.367 3
Mid Mid (pH 6-8) -0.74 1.62 -36.11 2 5 1 40 241.359 3

Activity (Go SEA)

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