UCSF

ZINC31966070

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 1.55 6.24 -58.78 2 6 -1 94 316.312 7
Lo Low (pH 4.5-6) 1.55 5.12 -18.98 3 6 0 91 317.32 7

Activity (Go SEA)

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