UCSF

ZINC31901244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) -0.37 1.67 -134.7 1 7 -2 122 312.347 6
Lo Low (pH 4.5-6) 0.00 3.85 -52.79 2 7 -1 115 313.355 5

Activity (Go SEA)

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