UCSF

ZINC04453180

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 22 No

Other Names:

MFCD03884247

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) 2.06 -3.21 -12.49 2 5 0 75 315.35 4
Mid Mid (pH 6-8) 1.48 -3.38 -16.82 1 5 0 72 315.35 4

Activity (Go SEA)

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