UCSF

ZINC19838176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) 0.94 0.75 -10.94 2 4 0 59 209.245 4
Hi High (pH 8-9.5) 0.94 1.54 -53.35 1 4 -1 61 208.237 4

Activity (Go SEA)

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