UCSF

ZINC19915807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 1.30 -3.77 -19.82 5 6 0 113 294.332 4
Hi High (pH 8-9.5) 1.30 -2.99 -48.79 4 6 -1 115 293.324 4

Activity (Go SEA)

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