UCSF

ZINC35514605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 36 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) 4.26 13.8 -14.29 0 7 0 82 488.515 8
Lo Low (pH 4.5-6) 4.26 14.25 -37.38 1 7 1 83 489.523 8

Activity (Go SEA)

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