UCSF

ZINC20070470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 2.10 7.42 -112.76 3 3 2 30 252.402 9
Mid Mid (pH 6-8) 2.10 4 -2.78 1 3 0 24 250.386 9
Mid Mid (pH 6-8) 2.10 5.97 -30.8 2 3 1 26 251.394 9
Mid Mid (pH 6-8) 2.10 5.61 -35.47 2 3 1 29 251.394 9

Activity (Go SEA)

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