UCSF

ZINC34601938

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) 4.49 10.21 -27.96 1 1 1 4 295.244 1
Hi High (pH 8-9.5) 4.49 8.38 -1.9 0 1 0 3 294.236 1

Activity (Go SEA)

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