UCSF

ZINC54968033

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 3.62 8.71 -53.69 0 4 -1 56 267.374 3
Mid Mid (pH 6-8) 3.62 9.06 -39.08 1 4 0 58 268.382 3

Activity (Go SEA)

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

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