UCSF

ZINC37242460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) 1.29 4.32 -31.81 2 2 1 16 169.292 3
Hi High (pH 8-9.5) 1.29 1.97 -0.81 1 2 0 15 168.284 3
Lo Low (pH 4.5-6) 1.29 3.25 -36.43 2 2 1 20 169.292 3
Lo Low (pH 4.5-6) 1.29 5.58 -106.02 3 2 2 21 170.3 3

Activity (Go SEA)

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