UCSF

ZINC36786906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) 1.31 3.21 -45.5 3 2 1 31 217.402 4
Lo Low (pH 4.5-6) 1.31 4.99 -114 4 2 2 32 218.41 4

Activity (Go SEA)

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