UCSF

ZINC60086225

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 14 Yes

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) -1.31 1.76 -94.38 4 5 1 75 204.294 8
Hi High (pH 8-9.5) -1.31 -0.57 -75.12 3 5 0 74 203.286 8

Activity (Go SEA)

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