UCSF

ZINC68890083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 18 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) 1.69 3.41 -33.93 3 3 1 37 267.315 4
Mid Mid (pH 6-8) 1.69 4.45 -113.4 4 3 2 41 268.323 4
Mid Mid (pH 6-8) 1.69 3.9 -20.15 2 3 0 40 266.307 4

Activity (Go SEA)

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

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