UCSF

ZINC02379774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 24 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) 4.96 8.58 -37.87 3 2 1 37 322.472 4
Hi High (pH 8-9.5) 4.96 7.64 -4.47 2 2 0 32 321.464 4

Activity (Go SEA)

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