UCSF

ZINC35015601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 3.37 8.18 -45.02 2 3 1 35 306.451 10
Hi High (pH 8-9.5) 3.37 6.83 -6.94 1 3 0 30 305.443 10

Activity (Go SEA)

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