UCSF

ZINC08779476

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 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) 2.47 1.52 -56.97 2 9 1 98 485.557 11
Mid Mid (pH 6-8) 1.89 1.37 -65.87 1 9 1 95 485.557 11

Activity (Go SEA)

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