UCSF

ZINC19680075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 0.21 3.16 -50.83 2 6 1 74 310.399 2
Hi High (pH 8-9.5) 0.21 1.96 -14.04 1 6 0 70 309.391 2

Activity (Go SEA)

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