UCSF

ZINC62968835

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) -1.58 5.06 -74.53 3 5 1 64 242.343 6
Hi High (pH 8-9.5) -1.58 3.98 -38.47 2 5 0 60 241.335 6
Hi High (pH 8-9.5) -1.58 2.89 -28.01 2 5 0 63 241.335 6
Mid Mid (pH 6-8) -1.58 5.3 -70.37 3 5 1 64 242.343 6

Activity (Go SEA)

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

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