UCSF

ZINC44509142

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) -1.47 -2.85 -52.24 5 8 1 128 289.337 4
Hi High (pH 8-9.5) -1.02 -5.34 -72.05 4 8 0 132 288.329 4
Mid Mid (pH 6-8) -1.02 -4.41 -63.82 4 8 0 132 288.329 4

Activity (Go SEA)

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