UCSF

ZINC59223675

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2011 18 No

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) 4.22 9.27 -35.81 3 2 1 30 247.406 7
Hi High (pH 8-9.5) 4.22 6.7 -3.04 2 2 0 29 246.398 7

Activity (Go SEA)

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