UCSF

ZINC33710683

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 3.85 11.19 -31.1 1 7 0 84 436.537 7
Hi High (pH 8-9.5) 4.03 10.11 -65.31 0 7 -1 91 435.529 7

Activity (Go SEA)

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