UCSF

ZINC34669946

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 14 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) 2.22 3.98 -8.54 1 2 0 33 213.208 1
Hi High (pH 8-9.5) 2.68 2.42 -49.8 0 2 -1 36 212.2 1

Activity (Go SEA)

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