UCSF

ZINC34227093

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 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 -0.65 -28.26 3 4 1 68 206.221 1
Hi High (pH 8-9.5) 1.67 1.04 -11.16 2 4 0 62 205.213 2

Activity (Go SEA)

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