UCSF

ZINC36146273

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 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) 3.35 8.07 -44.86 2 5 1 55 367.897 10
Hi High (pH 8-9.5) 3.35 5.83 -8.21 1 5 0 54 366.889 10

Activity (Go SEA)

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