UCSF

ZINC23283184

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 23 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) 3.58 11.35 -49.76 1 3 1 23 312.433 6
Hi High (pH 8-9.5) 3.58 9.09 -7.27 0 3 0 22 311.425 6

Activity (Go SEA)

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