UCSF

ZINC31933707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 2.14 8.8 -56.06 2 4 1 52 302.423 5
Mid Mid (pH 6-8) 2.14 7.36 -12.42 1 4 0 47 301.415 5

Activity (Go SEA)

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