UCSF

ZINC08695054

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 31 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) 1.55 3.19 -55.59 4 8 1 113 427.477 9
Mid Mid (pH 6-8) 0.97 3.86 -63.72 3 8 1 110 427.477 9

Activity (Go SEA)

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