UCSF

ZINC59848359

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 19 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) 1.62 5.46 -11.67 2 5 0 79 265.309 9
Mid Mid (pH 6-8) 1.62 5.87 -53.75 3 5 1 80 266.317 9

Activity (Go SEA)

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