UCSF

ZINC58667568

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 18 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) 3.62 4.83 -4.85 2 2 0 32 346.677 5
Lo Low (pH 4.5-6) 3.62 6.17 -49.6 3 2 1 37 347.685 5

Activity (Go SEA)

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