UCSF

ZINC34760391

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 16 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) 1.34 1.6 -48.06 3 5 1 65 226.252 5
Hi High (pH 8-9.5) 1.34 1.18 -6.67 2 5 0 63 225.244 5

Activity (Go SEA)

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