UCSF

ZINC12538465

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 27 Yes

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) 1.46 9.92 -50.35 1 9 1 93 378.453 5
Mid Mid (pH 6-8) 1.46 10.37 -126.24 2 9 2 94 379.461 5

Activity (Go SEA)

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