UCSF

ZINC62837848

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 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) -0.71 3.06 -53.37 4 7 0 117 274.28 5
Hi High (pH 8-9.5) -0.71 2.7 -31.59 3 7 -1 115 273.272 5
Mid Mid (pH 6-8) -0.71 3.55 -70.65 5 7 1 118 275.288 5

Activity (Go SEA)

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