UCSF

ZINC40081165

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 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) 4.25 9.53 -58.57 0 6 -1 83 396.463 9
Mid Mid (pH 6-8) 4.25 8.78 -13.02 1 6 0 80 397.471 9

Activity (Go SEA)

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