UCSF

ZINC39767089

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 2.78 10.69 -14.58 0 7 0 63 437.569 8
Mid Mid (pH 6-8) 2.78 12.9 -52.51 1 7 1 65 438.577 8

Activity (Go SEA)

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