UCSF

ZINC00987561

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 25 No

Other Names:

MFCD03863129

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) 0.81 -5.03 -17.84 5 8 0 140 339.355 5
Ref Reference (pH 7) 0.80 -0.46 -19.34 5 8 0 140 339.355 5
Lo Low (pH 4.5-6) 0.81 0.41 -64.48 6 8 1 142 340.363 5

Activity (Go SEA)

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