UCSF

ZINC54965041

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 23 No

Other Names:

MFCD01076286

N/A

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) 1.13 8.04 -47.53 3 8 0 140 324.333 8
Mid Mid (pH 6-8) 1.13 7.78 -43.37 2 8 -1 138 323.325 8

Activity (Go SEA)

Rings

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