UCSF

ZINC37819635

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.79 0.37 -49.78 5 6 1 93 251.31 4
Hi High (pH 8-9.5) -0.79 -0.04 -11.59 4 6 0 91 250.302 4

Activity (Go SEA)

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