UCSF

ZINC08973139

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 36 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) 4.05 11.93 -52.35 2 7 1 81 491.608 10
Mid Mid (pH 6-8) 3.47 12.73 -63.01 1 7 1 77 491.608 10

Activity (Go SEA)

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