UCSF

ZINC26294389

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 27 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) 2.29 4.93 -55.29 4 6 1 84 371.457 9
Hi High (pH 8-9.5) 2.29 3.43 -12.6 3 6 0 80 370.449 9

Activity (Go SEA)

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