UCSF

ZINC03645569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 29 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) 2.45 -1.34 -13.17 1 5 0 62 407.47 5
Lo Low (pH 4.5-6) 2.45 -1.23 -47.17 2 5 1 63 408.478 5

Activity (Go SEA)

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