UCSF

ZINC08996920

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 34 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) 2.51 7.8 -51.13 2 8 1 90 471.505 7
Mid Mid (pH 6-8) 1.48 8.46 -52.83 1 8 1 87 471.505 8

Activity (Go SEA)

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