UCSF

ZINC42403733

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 21 No

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) 2.09 3.17 -45.79 5 6 1 89 313.809 7
Hi High (pH 8-9.5) 2.09 1.18 -15.65 4 6 0 87 312.801 7

Activity (Go SEA)

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