UCSF

ZINC21527444

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 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) 3.24 11.29 -43.19 2 6 1 59 397.543 5
Hi High (pH 8-9.5) 3.24 8.82 -9.84 1 6 0 58 396.535 5

Activity (Go SEA)

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