UCSF

ZINC42251623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 1.86 6.54 -34.66 1 4 1 34 255.382 4
Mid Mid (pH 6-8) 1.86 6.5 -34.95 1 4 1 34 255.382 4
Lo Low (pH 4.5-6) 1.86 8.9 -99.71 2 4 2 35 256.39 4

Activity (Go SEA)

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