UCSF

ZINC40094815

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 35 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) 7.03 12.74 -58.04 1 5 -1 81 480.6 8
Lo Low (pH 4.5-6) 7.03 11.99 -12.01 2 5 0 78 481.608 8

Activity (Go SEA)

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