UCSF

ZINC33788768

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 39 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) 8.32 18.36 -34.39 2 6 1 66 522.669 9
Mid Mid (pH 6-8) 8.32 17.95 -17.94 1 6 0 65 521.661 9
Mid Mid (pH 6-8) 8.32 18.23 -43.32 2 6 1 69 522.669 9
Lo Low (pH 4.5-6) 8.32 18.64 -99.09 3 6 2 71 523.677 9

Activity (Go SEA)

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