UCSF

ZINC19838530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 2.14 1.82 -20.56 4 5 0 92 256.261 3
Hi High (pH 8-9.5) 2.14 2.67 -68.41 3 5 -1 95 255.253 3

Activity (Go SEA)

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