UCSF

ZINC60698763

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 16 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) 2.93 7.86 -43.74 2 1 1 17 228.306 5
Hi High (pH 8-9.5) 2.93 6.75 -1.83 1 1 0 12 227.298 5

Activity (Go SEA)

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