UCSF

ZINC36619613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 No

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) 2.24 5.41 -65.09 1 8 -1 116 424.429 9
Lo Low (pH 4.5-6) 2.24 4.68 -21.3 2 8 0 113 425.437 9

Activity (Go SEA)

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