UCSF

ZINC35387345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 15 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) -2.76 1.37 -49.86 4 7 0 115 217.225 5
Hi High (pH 8-9.5) -2.76 0.14 -55.84 3 7 -1 110 216.217 5

Activity (Go SEA)

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