UCSF

ZINC39972030

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 28 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) 3.23 8.16 -44.21 2 7 1 87 405.544 6
Mid Mid (pH 6-8) 3.23 8.1 -51.58 2 7 1 87 405.544 6
Mid Mid (pH 6-8) 3.23 5.93 -9.34 1 7 0 86 404.536 6

Activity (Go SEA)

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