UCSF

ZINC38139013

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) -0.67 -3.42 -17.74 3 7 0 105 368.127 3
Hi High (pH 8-9.5) -0.22 -6.13 -54.42 2 7 -1 108 367.119 3

Activity (Go SEA)

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