UCSF

ZINC43442377

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 3.27 7.09 -42.41 3 5 1 72 313.805 7
Mid Mid (pH 6-8) 3.27 6.02 -11.2 2 5 0 67 312.797 7

Activity (Go SEA)

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