UCSF

ZINC44648757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.51 3.13 -46.4 3 6 1 71 265.337 5
Hi High (pH 8-9.5) 0.51 1.77 -10.06 2 6 0 66 264.329 5
Mid Mid (pH 6-8) 0.51 3.47 -91.4 4 6 2 72 266.345 5

Activity (Go SEA)

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