UCSF

ZINC40124276

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) 3.96 6.99 -55.08 1 5 -1 78 384.477 6
Lo Low (pH 4.5-6) 3.96 6.23 -12.54 2 5 0 76 385.485 6

Activity (Go SEA)

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