UCSF

ZINC37115717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) -1.13 0.63 -50.93 3 5 0 86 160.173 5
Hi High (pH 8-9.5) -1.13 -0.72 -47.4 2 5 -1 81 159.165 5

Activity (Go SEA)

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