UCSF

ZINC16421200

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 28 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) 4.31 9.88 -45.26 2 6 1 63 382.484 6
Mid Mid (pH 6-8) 4.31 7.61 -17.54 1 6 0 62 381.476 6

Activity (Go SEA)

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