UCSF

ZINC39899081

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 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) 5.53 10.03 -12.56 2 6 0 78 480.351 5
Mid Mid (pH 6-8) 5.53 10.13 -14.62 2 6 0 78 480.351 5

Activity (Go SEA)

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