UCSF

ZINC20303727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.38 5.95 -98.54 4 5 2 63 283.416 8
Hi High (pH 8-9.5) 1.38 4.86 -38.26 3 5 1 59 282.408 8

Activity (Go SEA)

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