UCSF

ZINC36673152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 2.31 5.17 -47.12 2 2 1 26 230.69 1
Hi High (pH 8-9.5) 2.31 3.8 -3.34 1 2 0 21 229.682 1

Activity (Go SEA)

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