UCSF

ZINC08036095

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 23 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) 1.48 -6.08 -22.48 1 8 0 126 356.381 5
Hi High (pH 8-9.5) 1.48 -5.57 -56.17 0 8 -1 128 355.373 5

Activity (Go SEA)

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