UCSF

ZINC51186024

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 26 Yes

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) 3.15 8.96 -58.47 2 6 -1 98 361.462 9
Lo Low (pH 4.5-6) 3.15 6.64 -11.41 3 6 0 95 362.47 9

Activity (Go SEA)

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