UCSF

ZINC19721548

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 14 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) 1.51 3.14 -32.54 1 3 0 42 209.632 1
Hi High (pH 8-9.5) 2.81 2.72 -42.52 0 3 -1 45 208.624 1

Activity (Go SEA)

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