UCSF

ZINC34949065

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 4.28 11.79 -11.66 0 5 0 38 421.585 8
Mid Mid (pH 6-8) 4.28 14.05 -54.14 1 5 1 39 422.593 8

Activity (Go SEA)

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