UCSF

ZINC37842140

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) -1.89 0.72 -45.38 4 7 1 97 252.298 3
Hi High (pH 8-9.5) -1.89 -0.9 -15.66 3 7 0 95 251.29 3

Activity (Go SEA)

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