UCSF

ZINC34867318

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 22 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) 0.60 3.35 -96.58 6 6 2 91 304.394 4
Hi High (pH 8-9.5) 0.60 2.11 -50.26 5 6 1 87 303.386 4

Activity (Go SEA)

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