UCSF

ZINC36887266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 2.48 6.84 -44.88 4 3 1 42 282.408 5
Hi High (pH 8-9.5) 2.48 4.71 -10.34 3 3 0 41 281.4 5

Activity (Go SEA)

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