UCSF

ZINC37778706

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.59 3.58 -11.55 3 4 0 61 325.195 4
Hi High (pH 8-9.5) 3.59 4.34 -37.41 2 4 -1 64 324.187 4

Activity (Go SEA)

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