UCSF

ZINC34973411

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.79 5.33 -50.81 3 4 1 67 331.193 3
Hi High (pH 8-9.5) 3.79 5.02 -7.45 2 4 0 65 330.185 3

Activity (Go SEA)

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