UCSF

ZINC06696640

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 27 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) 3.00 9.75 -57.03 1 6 -1 87 366.372 6
Lo Low (pH 4.5-6) 3.00 11.06 -57.11 2 6 0 88 367.38 6

Activity (Go SEA)

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