UCSF

ZINC36983474

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.36 6.73 -49.99 1 5 -1 86 332.829 9
Lo Low (pH 4.5-6) 3.36 4.75 -12.8 2 5 0 83 333.837 9

Activity (Go SEA)

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