UCSF

ZINC22772627

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 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) 3.22 5.85 -37.82 2 6 1 62 407.519 4
Mid Mid (pH 6-8) 3.22 8.09 -95.19 3 6 2 64 408.527 4
Mid Mid (pH 6-8) 3.22 8.04 -115.03 3 6 2 64 408.527 4
Mid Mid (pH 6-8) 3.22 5.33 -15.99 1 6 0 61 406.511 4
Mid Mid (pH 6-8) 3.22 7.67 -53.16 2 6 1 62 407.519 4

Activity (Go SEA)

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

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