UCSF

ZINC24303257

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 34 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) 5.29 11.59 -16.9 1 6 0 72 459.542 6
Hi High (pH 8-9.5) 5.29 12.21 -45.84 0 6 -1 75 458.534 6

Activity (Go SEA)

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