UCSF

ZINC21524545

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 37 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) 3.38 13.48 -25.42 1 7 0 86 494.595 6
Hi High (pH 8-9.5) 3.84 12.36 -44.52 0 7 -1 89 493.587 6

Activity (Go SEA)

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