UCSF

ZINC40954188

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 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) 1.38 2.38 -40.24 3 4 1 63 202.274 6
Hi High (pH 8-9.5) 1.38 1.22 -8.86 2 4 0 59 201.266 6

Activity (Go SEA)

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