UCSF

ZINC24891785

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 35 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) 1.97 8.56 -22.38 1 8 0 78 476.577 6
Mid Mid (pH 6-8) 1.97 10.88 -69.32 2 8 1 79 477.585 6

Activity (Go SEA)

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