UCSF

ZINC09086032

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 2.95 7.43 -55.47 3 8 1 101 481.569 8
Mid Mid (pH 6-8) 2.36 8.08 -67.01 2 8 1 98 481.569 8

Activity (Go SEA)

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