UCSF

ZINC35151020

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 0.77 2.69 -39.66 2 4 1 38 243.371 6
Mid Mid (pH 6-8) 0.77 4.96 -104.32 3 4 2 40 244.379 6
Mid Mid (pH 6-8) 0.77 1.3 -4 1 4 0 34 242.363 6
Mid Mid (pH 6-8) 0.77 3.57 -35.36 2 4 1 35 243.371 6

Activity (Go SEA)

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