UCSF

ZINC37487429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 14 No

Other Names:

MFCD08706432

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) 0.10 -0.95 -50.41 3 4 1 71 220.314 2
Mid Mid (pH 6-8) 0.10 -2.02 -11.08 2 4 0 66 219.306 2

Activity (Go SEA)

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