UCSF

ZINC12010453

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 34 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) 4.13 10.98 -49.15 1 9 -1 118 458.498 7
Mid Mid (pH 6-8) 3.67 12.75 -17.82 2 9 0 115 459.506 7
Mid Mid (pH 6-8) 3.67 12.39 -18.54 2 9 0 115 459.506 7

Activity (Go SEA)

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

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