UCSF

ZINC08898994

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 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) 4.06 10 -52.75 2 6 1 71 462.353 5
Mid Mid (pH 6-8) 3.03 10.63 -51.21 1 6 1 68 462.353 6

Activity (Go SEA)

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