UCSF

ZINC34460604

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 19 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) 3.61 9.85 -42.61 1 3 1 21 276.429 3
Mid Mid (pH 6-8) 3.61 7.92 -6.48 0 3 0 19 275.421 3

Activity (Go SEA)

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