UCSF

ZINC13911657

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 32 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) 1.78 10.57 -17.95 3 11 0 144 458.415 10
Lo Low (pH 4.5-6) 1.78 10.83 -46.49 4 11 1 145 459.423 10
Lo Low (pH 4.5-6) 1.78 6.4 -40.37 4 11 1 145 459.423 10

Activity (Go SEA)

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