UCSF

ZINC37084980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 27 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) 2.35 9.1 -55.99 3 6 1 66 367.473 5
Mid Mid (pH 6-8) 2.35 6.79 -17.89 2 6 0 65 366.465 5

Activity (Go SEA)

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