UCSF

ZINC35321498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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 4.7 -62.06 2 6 0 77 229.28 4
Mid Mid (pH 6-8) -0.35 2.47 -42.01 1 6 -1 76 228.272 4

Activity (Go SEA)

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