UCSF

ZINC52916120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 21 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) 2.77 10.79 -39.71 1 3 1 25 303.451 7
Mid Mid (pH 6-8) 2.77 8.52 -9.9 0 3 0 24 302.443 7

Activity (Go SEA)

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