UCSF

ZINC40076206

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.29 8.63 -61.47 0 5 -1 74 338.383 6
Mid Mid (pH 6-8) 3.29 7.88 -13.9 1 5 0 71 339.391 6

Activity (Go SEA)

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