UCSF

ZINC32026743

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 0.29 1.51 -45.98 4 3 1 47 180.275 3
Lo Low (pH 4.5-6) 0.29 3.9 -126.84 5 3 2 48 181.283 3

Activity (Go SEA)

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