UCSF

ZINC15320318

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 33 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) 4.81 12.05 -10.93 0 6 0 82 483.611 7
Mid Mid (pH 6-8) 5.00 11.83 -11.37 0 6 0 82 483.611 7
Mid Mid (pH 6-8) 5.00 12.69 -13.44 0 6 0 82 483.611 7
Mid Mid (pH 6-8) 4.81 12.04 -12.62 0 6 0 82 483.611 7

Activity (Go SEA)

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