UCSF

ZINC43479564

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 3.34 5.47 -47.1 2 4 -1 72 312.679 4
Hi High (pH 8-9.5) 3.34 6.24 -90.16 1 4 -2 75 311.671 4

Activity (Go SEA)

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