UCSF

ZINC31992815

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 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) -1.38 1.12 -53.84 3 4 1 65 169.204 1
Hi High (pH 8-9.5) -1.38 0.79 -7.56 2 4 0 63 168.196 1

Activity (Go SEA)

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