UCSF

ZINC08859317

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 2.03 8.61 -51.88 2 9 1 103 485.557 10
Mid Mid (pH 6-8) 1.44 9.39 -61.61 1 9 1 100 485.557 10

Activity (Go SEA)

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