UCSF

ZINC30872686

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 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) 5.37 12.18 -56.59 3 6 1 80 492.665 7
Hi High (pH 8-9.5) 5.37 12.27 -82.84 2 6 0 82 491.657 7

Activity (Go SEA)

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