UCSF

ZINC34470167

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 26 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) 1.85 4.74 -95.14 6 6 2 90 378.598 17
Hi High (pH 8-9.5) 1.85 1.45 -36.78 5 6 1 89 377.59 17

Activity (Go SEA)

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