UCSF

ZINC33820779

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 28 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) 4.53 9.88 -52.77 1 4 -1 77 389.556 4
Lo Low (pH 4.5-6) 4.53 7.91 -12.88 2 4 0 75 390.564 4

Activity (Go SEA)

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