UCSF

ZINC33595814

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 35 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) 5.41 13.99 -57.86 4 5 1 75 491.725 16
Lo Low (pH 4.5-6) 5.41 14.42 -80.69 5 5 2 76 492.733 16

Activity (Go SEA)

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