UCSF

ZINC44849469

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 1.81 6.7 -40.23 4 4 1 60 288.481 9
Hi High (pH 8-9.5) 2.00 5.39 -35.65 3 4 0 66 287.473 9

Activity (Go SEA)

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