UCSF

ZINC12042396

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2008 33 No

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) 5.07 12.06 -11.37 1 7 0 82 469.607 12
Hi High (pH 8-9.5) 5.60 10.99 -45.66 0 7 -1 84 468.599 13

Activity (Go SEA)

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