UCSF

ZINC51783216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 15 Yes

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) 0.00 4.48 -109.13 3 4 2 41 213.325 3
Hi High (pH 8-9.5) 0.00 3.06 -35.77 2 4 1 37 212.317 3
Hi High (pH 8-9.5) 0.00 2.27 -43.65 2 4 1 40 212.317 3
Hi High (pH 8-9.5) 0.00 0.87 -8.73 1 4 0 36 211.309 3

Activity (Go SEA)

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