UCSF

ZINC31895609

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) 1.94 5.36 -95.7 4 4 2 48 306.479 5
Mid Mid (pH 6-8) 1.94 2.99 -51.9 3 4 1 47 305.471 5

Activity (Go SEA)

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