UCSF

ZINC42763527

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 0.91 0.51 -42.97 3 3 1 40 241.277 4
Hi High (pH 8-9.5) 0.91 0.22 -2.72 2 3 0 38 240.269 4
Mid Mid (pH 6-8) 0.91 2.39 -32.32 3 3 1 40 241.277 4
Lo Low (pH 4.5-6) 0.91 2.69 -117.42 4 3 2 41 242.285 4

Activity (Go SEA)

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