UCSF

ZINC33759909

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 37 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) 4.80 13.72 -51.95 1 8 0 100 508.615 14
Hi High (pH 8-9.5) 4.80 11.49 -41.83 0 8 -1 99 507.607 14
Lo Low (pH 4.5-6) 4.80 12.58 -52.77 2 8 1 98 509.623 14

Activity (Go SEA)

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