UCSF

ZINC08609100

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2007 34 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) 5.28 14.6 -14.02 0 5 0 41 478.568 6
Lo Low (pH 4.5-6) 5.28 15.05 -42.14 1 5 1 43 479.576 6

Activity (Go SEA)

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