UCSF

ZINC35604977

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 12 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) -1.22 -2.05 -50.15 4 5 1 90 172.208 6
Hi High (pH 8-9.5) -1.22 -3.4 -11.27 3 5 0 85 171.2 6

Activity (Go SEA)

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