UCSF

ZINC21532570

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 28 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) 0.52 9.64 -46.99 1 8 1 76 383.476 4
Mid Mid (pH 6-8) 0.52 9.36 -19.93 0 8 0 75 382.468 4

Activity (Go SEA)

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

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