UCSF

ZINC49573360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.32 4.88 -25.91 1 5 1 57 253.322 7
Mid Mid (pH 6-8) 1.32 6.81 -93.19 2 5 2 58 254.33 7
Mid Mid (pH 6-8) 1.32 3.81 -12.1 0 5 0 56 252.314 7
Lo Low (pH 4.5-6) 1.32 5.75 -37.2 1 5 1 57 253.322 7

Activity (Go SEA)

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

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