UCSF

ZINC59226909

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2011 17 No

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) 4.31 9.7 -99.24 3 2 2 21 242.451 8
Mid Mid (pH 6-8) 4.31 7.31 -34.78 2 2 1 20 241.443 8

Activity (Go SEA)

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