UCSF

ZINC21756027

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 34 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) 5.52 9.22 -61.47 0 6 -1 86 495.577 5
Mid Mid (pH 6-8) 5.52 9.22 -17.4 1 6 0 84 496.585 5

Activity (Go SEA)

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