UCSF

ZINC26546175

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 0.03 3.61 -39.36 2 3 1 34 154.237 3
Hi High (pH 8-9.5) 0.03 2.29 -5.93 1 3 0 30 153.229 3

Activity (Go SEA)

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