UCSF

ZINC19837321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 13 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) 2.42 2.79 -14.44 2 3 0 49 179.219 2
Hi High (pH 8-9.5) 2.42 3.81 -58.1 1 3 -1 52 178.211 2

Activity (Go SEA)

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