UCSF

ZINC08894708

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 32 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) 2.33 0.76 -50.2 2 7 1 80 441.479 7
Mid Mid (pH 6-8) 1.74 0.64 -58.9 1 7 1 77 441.479 7

Activity (Go SEA)

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