UCSF

ZINC41668000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.94 10.12 -12.58 0 4 0 43 401.437 3
Lo Low (pH 4.5-6) 4.94 12.98 -60.08 1 4 1 44 402.445 3

Activity (Go SEA)

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