UCSF

ZINC37794574

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.10 8.41 -48.15 1 4 -1 69 274.34 6
Lo Low (pH 4.5-6) 2.10 6.43 -7.88 2 4 0 66 275.348 6

Activity (Go SEA)

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