UCSF

ZINC23411570

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 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) 4.25 11.46 -57.69 2 5 1 51 381.544 3
Mid Mid (pH 6-8) 4.25 9.28 -17.43 1 5 0 50 380.536 3
Mid Mid (pH 6-8) 4.25 9.73 -32.92 2 5 1 51 381.544 3

Activity (Go SEA)

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