UCSF

ZINC34961384

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 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) 0.41 3.57 -47.39 2 4 0 60 200.282 5
Lo Low (pH 4.5-6) 0.41 5.81 -96.47 3 4 1 61 201.29 5

Activity (Go SEA)

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