UCSF

ZINC37828042

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.14 8.46 -57.55 0 5 -1 70 276.312 6
Lo Low (pH 4.5-6) 2.14 6.53 -17.95 1 5 0 67 277.32 6

Activity (Go SEA)

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