UCSF

ZINC39848695

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.16 10 -56.88 0 8 -1 109 463.853 5
Lo Low (pH 4.5-6) 4.16 9.25 -13.86 1 8 0 106 464.861 5

Activity (Go SEA)

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