UCSF

ZINC19838372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 2.07 2.22 -11.92 2 3 0 49 193.246 4
Hi High (pH 8-9.5) 2.07 3.02 -54.1 1 3 -1 52 192.238 4

Activity (Go SEA)

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