UCSF

ZINC22853593

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.53 12.67 -49.3 1 5 1 35 391.539 8
Hi High (pH 8-9.5) 3.53 10.13 -10.53 0 5 0 34 390.531 8

Activity (Go SEA)

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