UCSF

ZINC35384899

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 15 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) -1.47 2.63 -46.05 3 6 0 99 229.261 5
Hi High (pH 8-9.5) -0.91 0.59 -55.08 2 6 -1 97 228.253 4
Mid Mid (pH 6-8) -1.65 1.4 -55.64 2 6 -1 105 228.253 5

Activity (Go SEA)

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