UCSF

ZINC39229741

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 4.03 11.13 -52.84 3 5 1 62 421.952 6
Mid Mid (pH 6-8) 4.03 10.03 -10.86 2 5 0 57 420.944 6

Activity (Go SEA)

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