UCSF

ZINC48559002

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 No

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) 0.99 2.94 -48.66 4 6 1 90 299.42 7
Hi High (pH 8-9.5) 1.55 0.46 -17.03 3 6 0 92 298.412 6
Mid Mid (pH 6-8) 0.81 2.2 -41.59 3 6 0 96 298.412 7

Activity (Go SEA)

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