UCSF

ZINC42463134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.98 2.72 -10.22 1 5 0 63 236.271 1
Hi High (pH 8-9.5) 0.98 3.64 -38.66 1 5 0 67 236.271 1
Mid Mid (pH 6-8) 0.98 3.73 -50.67 0 5 -1 65 235.263 1
Lo Low (pH 4.5-6) 0.98 2.67 -40.79 2 5 1 64 237.279 1

Activity (Go SEA)

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