UCSF

ZINC34983850

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 4.09 11.97 -14.49 0 7 0 82 455.474 3
Lo Low (pH 4.5-6) 4.09 12.43 -45.79 1 7 1 83 456.482 3

Activity (Go SEA)

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