UCSF

ZINC37834249

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.11 8.52 -63.68 0 6 -1 81 299.391 9
Lo Low (pH 4.5-6) 1.11 6.12 -12.41 1 6 0 78 300.399 9

Activity (Go SEA)

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