UCSF

ZINC40124414

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.96 6.71 -53.29 1 6 -1 88 396.394 8
Lo Low (pH 4.5-6) 2.96 5.95 -15.09 2 6 0 85 397.402 8

Activity (Go SEA)

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