UCSF

ZINC31920575

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 3.11 6.48 -12.73 1 3 0 38 256.28 2
Lo Low (pH 4.5-6) 3.11 6.88 -29.64 2 3 1 39 257.288 2

Activity (Go SEA)

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