UCSF

ZINC34475102

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 19 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) 3.45 8.46 -43.67 1 4 1 33 281.811 2
Hi High (pH 8-9.5) 3.45 6.3 -7.12 0 4 0 32 280.803 2

Activity (Go SEA)

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