UCSF

ZINC36103344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 0.35 3.12 -9.48 0 4 0 33 226.32 2
Mid Mid (pH 6-8) 0.35 5.05 -47.08 1 4 1 34 227.328 2

Activity (Go SEA)

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