UCSF

ZINC34934221

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) 4.48 8.07 -9.93 2 6 0 65 463.409 6
Mid Mid (pH 6-8) 4.48 11.06 -50.39 3 6 1 66 464.417 6

Activity (Go SEA)

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