UCSF

ZINC25264054

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 32 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) 2.95 5.1 -17.15 0 8 0 81 444.438 7
Lo Low (pH 4.5-6) 2.95 7.32 -58.41 1 8 1 82 445.446 7

Activity (Go SEA)

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