UCSF

ZINC00702726

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 No

Other Names:

MFCD03213785

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) 3.02 -1.37 -12 1 6 0 79 446.297 5
Mid Mid (pH 6-8) 2.43 -1.56 -17.31 0 6 0 76 446.297 5

Activity (Go SEA)

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