UCSF

ZINC39699644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -1.82 -9.36 -50.48 4 12 -1 164 367.342 3
Lo Low (pH 4.5-6) -1.82 -9.36 -19.97 5 12 0 167 368.35 3

Activity (Go SEA)

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