UCSF

ZINC20242278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 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) 4.65 11.86 -70.92 2 6 1 71 511.067 8
Hi High (pH 8-9.5) 4.65 9.57 -32.2 1 6 0 70 510.059 8

Activity (Go SEA)

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