UCSF

ZINC43445551

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 2.24 3.3 -45.22 3 2 1 37 265.196 6
Hi High (pH 8-9.5) 2.24 1.95 -4.01 2 2 0 32 264.188 6

Activity (Go SEA)

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