UCSF

ZINC36769808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.25 4.39 -12.78 2 3 0 38 264.394 4
Lo Low (pH 4.5-6) 2.25 6.65 -52.83 3 3 1 40 265.402 4

Activity (Go SEA)

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