UCSF

ZINC21808847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.14 5.27 -46.72 4 5 1 69 310.443 6
Hi High (pH 8-9.5) 1.14 3.09 -12.17 3 5 0 68 309.435 6

Activity (Go SEA)

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