UCSF

ZINC34938534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 0.33 2.63 -40.53 3 4 1 55 213.301 8
Hi High (pH 8-9.5) 0.33 1.38 -7.95 2 4 0 50 212.293 8
Hi High (pH 8-9.5) 0.51 0.17 -33.94 2 4 0 61 212.293 8

Activity (Go SEA)

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