UCSF

ZINC37788431

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.08 9.07 -56.97 1 4 -1 69 290.383 6
Lo Low (pH 4.5-6) 3.08 7.25 -12.98 2 4 0 66 291.391 6

Activity (Go SEA)

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