UCSF

ZINC48544411

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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 1.76 -43.72 3 6 1 69 285.412 6
Hi High (pH 8-9.5) 0.51 0.55 -14.03 2 6 0 65 284.404 6
Mid Mid (pH 6-8) 0.51 3.9 -100.9 4 6 2 70 286.42 6

Activity (Go SEA)

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