UCSF

ZINC22970117

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 21 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) 1.18 1.46 -10.23 1 6 0 67 292.383 6
Mid Mid (pH 6-8) 1.18 3.42 -43.76 2 6 1 69 293.391 6

Activity (Go SEA)

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