UCSF

ZINC27132941

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 28 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) 2.45 8.91 -11.07 1 5 0 53 383.467 5
Lo Low (pH 4.5-6) 2.45 9.67 -25.29 2 5 0 54 384.475 5

Activity (Go SEA)

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