UCSF

ZINC23320364

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 32 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) 2.56 6.87 -15.61 0 8 0 81 436.512 8
Mid Mid (pH 6-8) 2.56 9.13 -55.68 1 8 1 82 437.52 8

Activity (Go SEA)

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