UCSF

ZINC37179921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.97 6.23 -90.98 4 3 2 35 277.456 4
Lo Low (pH 4.5-6) 1.97 5.27 -125.22 4 3 2 35 277.456 4

Activity (Go SEA)

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