UCSF

ZINC31980472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 1.62 5.4 -49.17 3 3 1 50 243.33 5
Lo Low (pH 4.5-6) 1.62 5.84 -89.84 4 3 2 51 244.338 5

Activity (Go SEA)

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