UCSF

ZINC36970946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 0.30 3.14 -54.13 3 7 -1 116 284.336 7
Lo Low (pH 4.5-6) 0.30 1.16 -15.77 4 7 0 113 285.344 7

Activity (Go SEA)

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