UCSF

ZINC39581714

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 25 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) -1.26 -8.12 -47.84 4 11 -1 155 351.343 3
Lo Low (pH 4.5-6) -1.26 -8.13 -18.17 5 11 0 158 352.351 3

Activity (Go SEA)

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