UCSF

ZINC36614970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 25 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) 1.42 6.4 -15.73 0 7 0 73 367.519 7
Lo Low (pH 4.5-6) 1.42 6.54 -35.35 1 7 1 74 368.527 7

Activity (Go SEA)

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