UCSF

ZINC24878538

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 26 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) 4.29 9.25 -45.7 2 3 1 29 361.456 8
Mid Mid (pH 6-8) 4.29 10.39 -40 2 3 1 26 361.456 8

Activity (Go SEA)

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