UCSF

ZINC34669850

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) 1.74 4.4 -11.16 1 3 0 57 202.238 1
Hi High (pH 8-9.5) 2.20 2.42 -42.46 0 3 -1 60 201.23 1

Activity (Go SEA)

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