UCSF

ZINC01157101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 28 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) 1.68 -1.61 -50.84 2 7 1 84 403.48 7
Mid Mid (pH 6-8) 1.10 -1.79 -58.86 1 7 1 81 403.48 7

Activity (Go SEA)

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