UCSF

ZINC08896261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 35 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) 3.13 10.19 -57.11 2 8 1 90 483.585 12
Mid Mid (pH 6-8) 2.55 10.84 -68.01 1 8 1 87 483.585 12

Activity (Go SEA)

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