UCSF

ZINC40015282

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 36 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) 3.64 10.33 -10.69 0 7 0 72 494.563 9
Mid Mid (pH 6-8) 3.64 12.59 -44.27 1 7 1 73 495.571 9

Activity (Go SEA)

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