UCSF

ZINC40450108

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 26 No

Other Names:

MFCD06798298

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) 5.14 15.26 -35.16 0 3 1 29 368.485 5
Mid Mid (pH 6-8) 5.14 15.1 -9.83 0 3 0 29 367.477 5
Mid Mid (pH 6-8) 5.14 15.68 -95.37 1 3 2 30 369.493 5
Lo Low (pH 4.5-6) 5.14 15.17 -92.58 2 3 2 32 369.493 5
Lo Low (pH 4.5-6) 5.14 15.53 -36.87 1 3 1 30 368.485 5

Activity (Go SEA)

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

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