UCSF

ZINC39870067

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 No

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) 5.09 10.22 -74.65 1 5 -1 82 371.825 4
Mid Mid (pH 6-8) 5.09 9.53 -126.45 0 5 -2 84 370.817 4

Activity (Go SEA)

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