UCSF

ZINC31992631

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) -2.29 -2.85 -8.41 3 5 0 84 172.184 2
Mid Mid (pH 6-8) -2.29 -2.53 -60.86 4 5 1 85 173.192 2

Activity (Go SEA)

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