UCSF

ZINC10020919

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 32 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) 6.07 0.69 -19.22 0 4 0 46 457.986 5
Lo Low (pH 4.5-6) 6.07 0.81 -53.86 1 4 1 47 458.994 5

Activity (Go SEA)

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