UCSF

ZINC19836021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 1.54 8.55 -41.06 1 4 1 28 288.415 2
Hi High (pH 8-9.5) 1.54 7.21 -8.43 0 4 0 27 287.407 2

Activity (Go SEA)

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