UCSF

ZINC28464297

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 28 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) 6.43 14.44 -103.13 0 5 -2 97 396.568 18
Lo Low (pH 4.5-6) 6.43 13.32 -57.41 1 5 -1 94 397.576 18

Activity (Go SEA)

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