UCSF

ZINC40205508

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.59 12.7 -16.99 1 6 0 69 445.563 11
Mid Mid (pH 6-8) 5.59 12.99 -39.66 2 6 1 71 446.571 11

Activity (Go SEA)

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