UCSF

ZINC37854616

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 3.25 8.72 -33.13 2 2 1 16 279.473 6
Lo Low (pH 4.5-6) 3.25 9.89 -107.97 3 2 2 21 280.481 6
Lo Low (pH 4.5-6) 3.25 7.7 -42.83 2 2 1 20 279.473 6

Activity (Go SEA)

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