UCSF

ZINC28556520

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 33 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) 3.71 11.12 -15.28 0 7 0 68 446.551 6
Mid Mid (pH 6-8) 3.71 11.51 -37.98 1 7 1 69 447.559 6

Activity (Go SEA)

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