UCSF

ZINC49629605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -1.57 3.93 -60.81 3 6 1 79 284.343 3
Mid Mid (pH 6-8) -1.57 3.52 -11.99 2 6 0 77 283.335 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.