UCSF

ZINC13641645

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 30 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) 5.08 9.01 -14.61 1 6 0 81 477.343 4
Lo Low (pH 4.5-6) 5.08 8.77 -43.86 2 6 1 82 478.351 4

Activity (Go SEA)

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