UCSF

ZINC39705775

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 30 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) 0.89 6.42 -54.99 3 8 1 100 431.538 7
Mid Mid (pH 6-8) 0.89 4.06 -20.59 2 8 0 99 430.53 7

Activity (Go SEA)

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