UCSF

ZINC37293021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.38 3.6 -13.93 3 5 0 73 276.384 4
Lo Low (pH 4.5-6) 2.38 3.7 -49.83 4 5 1 78 277.392 4

Activity (Go SEA)

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