UCSF

ZINC13829418

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 14 No

Other Names:

N/A

NS309

Download: MOL2 SDF SMILES Flexibase

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) 2.48 1.55 -8.45 2 4 0 65 231.038 0
Ref Reference (pH 7) 2.48 0.83 -7.12 2 4 0 65 231.038 0
Ref Reference (pH 7) 2.31 0.73 -34.93 3 4 1 63 232.046 1
Hi High (pH 8-9.5) 2.94 -1.18 -40.79 1 4 -1 69 230.03 0
Hi High (pH 8-9.5) 2.94 -0.57 -43.54 1 4 -1 69 230.03 0

Activity (Go SEA)

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