UCSF

ZINC34115228

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 10 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) 1.09 2.82 -95.63 4 2 2 33 144.262 3
Hi High (pH 8-9.5) 1.09 1.71 -35.88 3 2 1 29 143.254 3

Activity (Go SEA)

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